SCHEMBL5157751

SCHEMBL5157751

CC(=O)NC(C)N(C(C)NC(C)=O)C(C)NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
NFKB1 P19838 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 1/20 0.35
PTGS1 P23219 1/20 0.35
MMP12 P39900 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.32
MTNR1A P48039 6/20 0.31
MTNR1B P49286 6/20 0.31
MEN1 O00255 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4661689 0.80
SCHEMBL24130619 0.78 ALDH1A1 (0.38) ALDH1A1NFKB1KDM4EMAPTTHRB
SCHEMBL3392039 0.71 KDM4E (0.50) ALDH1A1NFKB1KDM4EMAPTTHRB
SCHEMBL13692 0.71
SCHEMBL14157901 0.71 TRPV1 (0.46) ALDH1A1NFKB1KDM4EMAPTTHRB
SCHEMBL82871 0.69
SCHEMBL149183 0.69
Hydrochloric Acid SCHEMBL6489775 0.69
SCHEMBL7051108 0.69 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL4278579 0.67 KDM4E (0.44) ALDH1A1NFKB1KDM4EMAPTTHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0762901-B9 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING CIS BIO INT (FR) 2007-01-17 EP claimed
EP-0762901-B1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING BERLEX INC (US) 2006-04-19 EP claimed
EP-1583565-A1 ENHANCED SCINTIGRAPHIC IMAGING AGENTS FOR IMAGING OF INFECTION AND INFLAMMATION Schering AG (DE) 2005-10-12 EP claimed
US-20050002861-A1 Enhanced scintigraphic imaging agents for imaging of infection and inflammation BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-01-06 US claimed
EP-0775160-B1 CYCLIC HEXAPEPTIDE SOMATOSTATIN ANALOGUES DIATIDE INC (US) 2004-08-18 EP claimed
WO-2004060409-A1 ENHANCED SCINTIGRAPHIC IMAGING AGENTS FOR IMAGING OF INFECTION AND INFLAMMATION SCHERING AG (DE) 2004-07-22 WO claimed
EP-1437145-A1 Enhanced scintigraphic imaging agents for imaging of infection and inflammation Schering AG (DE) 2004-07-14 EP claimed
EP-0804481-B1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATIDE INC (US) 2003-04-16 EP claimed
US-6241965-B1 MEDICAL DIAGNOSTIC AND ANTITUMOR AGENTS DIATIDE, INC. 2001-06-05 US claimed
US-6074627-A STABLE COMPLEX DIATIDE, INC. (US) 2000-06-13 US claimed
US-6019958-A POLYBASIC COMPOUND HAVING A MOLECULAR WEIGHT FROM ABOUT 500 DALTONS TO ABOUT 15,000 DALTONS WITH A TECHNETIUM-99M BINDING MOIETY COVALENTLY LINKED TO THE COMPOUND; AND A POLYSULFATED GLYCAN HAVING A MOLECULAR WEIGHT OF AT LEAST ABOUT 1,000 DIATIDE, INC. (US) 2000-02-01 US claimed
US-5997844-A Technetium-99m labeled peptides for imaging DIATIDE, INC. (US) 1999-12-07 US claimed
EP-0702570-B1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING INFLAMMATION DIATIDE INC (US) 1999-08-04 EP claimed
US-5932189-A RADIOTHERAPY, RADIODIAGNOSIS PEPTIDES DIATECH, INC. (US) 1999-08-03 US claimed
US-5830856-A RADIOLABELED SCINTIGRAPHIC IMAGING DIATIDE, INC. (US) 1998-11-03 US claimed
EP-0772460-A1 RADIOLABELED COMPOUNDS FOR THROMBUS IMAGING DIATECH, INC. (US) 1997-05-14 EP claimed
WO-1995033496-A1 RADIOLABELED COMPOUNDS FOR THROMBUS IMAGING DIATECH, INC. (US) 1995-12-14 WO claimed
WO-1995003330-A1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATECH, INC. (US) 1995-02-02 WO claimed
WO-1995000553-A1 RADIOLABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES DIATECH, INC. (US) 1995-01-05 WO claimed
US-7238340-B1 Monoamine, diamide, thiol-containing metal chelating agents CIS BIO INTERNATIONAL (FR) 2007-07-03 US disclosed
EP-0762901-B9 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING CIS BIO INT (FR) 2007-01-17 EP disclosed
EP-1092726-B1 Radioactively-labeled somatostatin derived peptides for imaging and therapeutics uses DIATIDE INC (US) 2006-08-23 EP disclosed
EP-0762901-B1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING BERLEX INC (US) 2006-04-19 EP disclosed
US-20050002861-A1 Enhanced scintigraphic imaging agents for imaging of infection and inflammation BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-01-06 US disclosed
EP-0775160-B1 CYCLIC HEXAPEPTIDE SOMATOSTATIN ANALOGUES DIATIDE INC (US) 2004-08-18 EP disclosed
EP-1437145-A1 Enhanced scintigraphic imaging agents for imaging of infection and inflammation Schering AG (DE) 2004-07-14 EP disclosed
EP-0804252-B1 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATIDE INC (US) 2003-08-13 EP disclosed
EP-0804481-B1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATIDE INC (US) 2003-04-16 EP disclosed
US-6509001-B1 Peptide covalently linked to radioactive metal or iodine chelator; diagnostic and therapeutic modalities against cancer; lung and ovarian adenocarcinoma, breast cancers and lymphomas DIATIDE, INC. 2003-01-21 US disclosed
US-6479032-B1 Calcitonin receptor binding reagents DIATIDE, INC. 2002-11-12 US disclosed
US-6241965-B1 MEDICAL DIAGNOSTIC AND ANTITUMOR AGENTS DIATIDE, INC. 2001-06-05 US disclosed
EP-1099707-A2 Radiolabeled somatostatin-derived peptides for imaging and therapeutic uses Diatide, Inc. (US) 2001-05-16 EP disclosed
EP-1092726-A2 Radioactively-labeled somatostatin derived peptides for imaging and therapeutics uses Diatide, Inc. (US) 2001-04-18 EP disclosed
EP-0720621-B1 RADIOLABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES DIATIDE INC (US) 2001-02-07 EP disclosed
US-6086850-A SYNTHETIC CALCITONIN RECEPTOR-BINDING COMPOUND OF GIVEN MOLECULAR WEIGHT COVALENTLY LINKED TO A RADIOMETAL CHELATOR TO FORM A REAGENT HAVING A BINDING AFFINITY FOR A CALCITONIN RECEPTOR GREATER OR EQUAL TO RADIOIODINATED NATIVE CALCITONIN DIATIDE, INC. (US) 2000-07-11 US disclosed
US-6083480-A RADIOTHERAPEUTIC REAGENTS AND PEPTIDES, RADIODIAGNOSTIC REAGENTS AND PEPTIDES DIATIDE, INC. (US) 2000-07-04 US disclosed
US-6074627-A STABLE COMPLEX DIATIDE, INC. (US) 2000-06-13 US disclosed
US-6051206-A CYCLIC PEPTIDE DERIVATIVES; RADIODIAGNOSIS; IMAGING DIATIDE, INC (US) 2000-04-18 US disclosed
US-6022520-A ADMINISTERING A DIAGNOSTIC AMOUNT OF A RADIOLABELED REAGENT CAPABLE OF INHIBITING HUMAN PLATELET AGGREGATION COMPRISING RADIOLABEL COMPLEXING MOIETY AND A PLATELET GLYCOPROTEIN IIB/IIIA-BINDING COMPOUND COVALENTLY LINKED TO THE MOIETY DIATIDE, INC. (US) 2000-02-08 US disclosed
US-6022857-A Radiolabeled compounds for thrombus imaging DIATIDE, INC. (US) 2000-02-08 US disclosed
US-6019958-A POLYBASIC COMPOUND HAVING A MOLECULAR WEIGHT FROM ABOUT 500 DALTONS TO ABOUT 15,000 DALTONS WITH A TECHNETIUM-99M BINDING MOIETY COVALENTLY LINKED TO THE COMPOUND; AND A POLYSULFATED GLYCAN HAVING A MOLECULAR WEIGHT OF AT LEAST ABOUT 1,000 DIATIDE, INC. (US) 2000-02-01 US disclosed
US-6007792-A CHELATE COMPOUNDS LABELED WITH TECHNETIUM-99M, RHENIUM-186, OR RHENIUM-188; TUMOR IMAGING DIATIDE, INC. (US) 1999-12-28 US disclosed
US-5997844-A Technetium-99m labeled peptides for imaging DIATIDE, INC. (US) 1999-12-07 US disclosed
US-5955426-A SUCH PEPTIDES RADIOLABELED WITH A RADIOSIOTOPE, AS WELL AS METHODS FOR USING SUCH PEPTIDES FOR RADIODIAGNOSTIC AND RADIOTHERAPEUTIC PURPOSES DIATIDE, INC. (US) 1999-09-21 US disclosed
EP-0702570-B1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING INFLAMMATION DIATIDE INC (US) 1999-08-04 EP disclosed
US-5932189-A RADIOTHERAPY, RADIODIAGNOSIS PEPTIDES DIATECH, INC. (US) 1999-08-03 US disclosed
US-5849261-A Radiolabeled vasoactive intestinal peptides for diagnosis and therapy DIATIDE, INC. (US) 1998-12-15 US disclosed
US-5830856-A RADIOLABELED SCINTIGRAPHIC IMAGING DIATIDE, INC. (US) 1998-11-03 US disclosed
EP-0804252-A2 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATECH, INC. (US) 1997-11-05 EP disclosed
EP-0804481-A1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS Diatide, Inc. (US) 1997-11-05 EP disclosed
EP-0772460-A1 RADIOLABELED COMPOUNDS FOR THROMBUS IMAGING DIATECH, INC. (US) 1997-05-14 EP disclosed
WO-1995033497-A1 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATECH, INC. (US) 1995-12-14 WO disclosed
WO-1995033496-A1 RADIOLABELED COMPOUNDS FOR THROMBUS IMAGING DIATECH, INC. (US) 1995-12-14 WO disclosed
WO-1995003330-A1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATECH, INC. (US) 1995-02-02 WO disclosed
WO-1995000553-A1 RADIOLABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES DIATECH, INC. (US) 1995-01-05 WO disclosed
WO-1995000553-A1 RADIOLABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES DIATECH, INC. (US) 1995-01-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050002861-A1 Enhanced scintigraphic imaging agents for imaging of infection and inflammation SIGLEC7, CD209, SIGLEC9 ALDH1A1 4795/4885NFKB1 396/4885KDM4E 4063/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.