SCHEMBL5014839

SCHEMBL5014839

[CH2]c1ccc(NC(=O)C(CNC(=O)CNC(P(=O)(O)O)P(=O)(O)O)CNC(=O)CNC(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 5/20 0.32
CA2 P00918 3/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA12 O43570 5/20 0.32
MMP2 P08253 4/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL5015209 0.83 LMNA (0.40) HDAC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5013951 0.68 ENPP2 (0.46) HDAC1MEN1KMT2AALDH1A1HDAC3
SCHEMBL5015207 0.67 PTPN1 (0.45) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6535270 0.62 ALDH1A1 (0.61) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5013955 0.62 ENPP2 (0.40) HDAC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL29221538 0.60 TAAR1 (0.64) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29083324 0.59 PKM (0.52) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13948689 0.59 MAPT (0.48) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5495326 0.59 CA1 (0.59) HDAC1MEN1KMT2ACA1CA2
SCHEMBL6934094 0.59 GAA (0.61) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115720-B2 Structurally distinct radionuclide complexes of multinitrogen heterocycles having phosphonic acid groups that target bone, and thus, are useful as imaging and therapeutic agents (e.g., for bone marrow suppression, cancer, bone pain) NEORX CORPORATION (US) 2006-10-03 US claimed
US-20040096393-A1 Therapeutic and diagnostic compounds, compositions, and methods PONIARD PHARMACEUTICALS, INC. 2004-05-20 US claimed
EP-1390081-A2 THERAPEUTIC AND DIAGNOSTIC COMPOUNDS, COMPOSITIONS, AND METHODS NEORX CORPORATION (US) 2004-02-25 EP claimed
WO-2002062398-A2 RADIOACTIVELY LABELLED CONJUGATES OF PHOSPHONATES NEORX CORPORATION (US) 2002-08-15 WO claimed
US-7385042-B2 Therapeutic and diagnostic compounds, compositions, and methods PONIARD PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed
US-20060251578-A1 Structurally distinct radionuclide complexes of multinitrogen heterocycles having phosphonic acid groups that target bone, and thus, are useful as imaging and therapeutic agents (e.g., for bone marrow suppression, cancer, bone pain) NEORX CORPORATION 2006-11-09 US disclosed
US-7115720-B2 Structurally distinct radionuclide complexes of multinitrogen heterocycles having phosphonic acid groups that target bone, and thus, are useful as imaging and therapeutic agents (e.g., for bone marrow suppression, cancer, bone pain) NEORX CORPORATION (US) 2006-10-03 US disclosed
US-20040096393-A1 Therapeutic and diagnostic compounds, compositions, and methods PONIARD PHARMACEUTICALS, INC. 2004-05-20 US disclosed
EP-1390081-A2 THERAPEUTIC AND DIAGNOSTIC COMPOUNDS, COMPOSITIONS, AND METHODS NEORX CORPORATION (US) 2004-02-25 EP disclosed
WO-2002062398-A2 RADIOACTIVELY LABELLED CONJUGATES OF PHOSPHONATES NEORX CORPORATION (US) 2002-08-15 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 (2 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-20060251578-A1 Structurally distinct radionuclide complexes of multinitrogen heterocycles having phosphonic acid groups that target bone, and thus, are useful as imaging and therapeutic agents (e.g., for bone marrow suppression, cancer, bone pain) PHOSPHO1, SNRPA1, NPM1 HDAC1 1079/4885RAB9A 705/4885MEN1 19/4885
US-20040096393-A1 Therapeutic and diagnostic compounds, compositions, and methods SLC10A1, MEN1, REN HDAC1 948/4885RAB9A 453/4885MEN1 2/4885

“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.