SCHEMBL5157765

SCHEMBL5157765

CC(=O)NCCN(CCNC(C)=O)CCNC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
MTNR1A P48039 7/20 0.50
MTNR1B P49286 7/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 2/20 0.48
PAOX Q6QHF9 3/20 0.44
ADRA1A P35348 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NFKB1 P19838 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL16790905 0.97 KDM4E (0.52) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL5179872 0.91 KDM4E (0.46) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL16317805 0.91 PAOX (0.47) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL20725629 0.89 PAOX (0.52) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL474091 0.87 ALDH1A1 (0.53) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL18307272 0.87 KDM4E (0.48) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL12433198 0.87 KDM4E (0.43) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL10937049 0.87 PAOX (0.48) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL486581 0.84 TDP1 (0.54) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL8047064 0.84 TSHR (0.52) KDM4EMAPK1HIF1AMTNR1AMTNR1B

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 88 patents — showing the first 20. 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-0684843-B1 TECHNETIUM-99m LABELED PEPTIDES FOR DIAGNOSTIC IMAGING OF INFLAMMATION DIATIDE INC (US) 2006-05-10 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

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 KDM4E 4063/4885MAPK1 2923/4885HIF1A 803/4885

“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.