SCHEMBL6164652

SCHEMBL6164652

COc1cccc(Nc2nc3ccc(CC(=O)CNc4ccc(C(C)CC(=O)O)cn4)cc3o2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC6 Q9UBN7 1/20 0.38
EGFR P00533 1/20 0.37
ERBB3 P21860 1/20 0.37
HPSE Q9Y251 1/20 0.37
CNR2 P34972 1/20 0.36
FFAR1 O14842 1/20 0.36
P2RY14 Q15391 1/20 0.36
RAF1 P04049 2/20 0.35
BRAF P15056 2/20 0.35
GALK1 P51570 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6163093 0.91 P2RY14 (0.42) MAPTMEN1POLBKMT2AGAA
SCHEMBL6164474 0.91 P2RY14 (0.42) MAPTMEN1POLBKMT2AGAA
SCHEMBL6167394 0.87 MAPT (0.42) MAPTMEN1POLBKMT2AGAA
SCHEMBL6163902 0.87 JAK2 (0.41) GALK1
SCHEMBL6163641 0.85 FFAR1 (0.39) FFAR1GALK1
SCHEMBL6164661 0.85 MAPT (0.40) MAPTMEN1POLBKMT2AGAA
SCHEMBL6168715 0.85 LMNA (0.34) MAPTPOLBGAAFFAR1GALK1
SCHEMBL6161757 0.83 ITGA4 (0.40) MAPTFFAR1GALK1
SCHEMBL6164422 0.83 TP53 (0.39) MAPTGAARAB9A
SCHEMBL6164207 0.82 ITGA4 (0.38) POLBFFAR1GALK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183254-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS AVENTIS PHARMA LTD (GB) 2005-01-12 EP disclosed
US-6706738-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMA LIMITED (GB) 2004-03-16 US disclosed
US-20020173506-A1 Substituted bicyclic heteroaryl compounds and their use as integrin antagonists AVENTIS PHARMA LIMITED (GB) 2002-11-21 US disclosed
EP-1183254-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS Aventis Pharma Limited (GB) 2002-03-06 EP disclosed
WO-2000061580-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS AVENTIS PHARMA LIMITED (GB) 2000-10-19 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-20020173506-A1 Substituted bicyclic heteroaryl compounds and their use as integrin antagonists VCAM1, ITGA4, ITGA1 MAPT 4812/4885MEN1 4679/4885POLB 4118/4885

“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.