SCHEMBL6160961

SCHEMBL6160961

Cc1ccccc1Nc1nc2c(C)cc(CC(=O)Nc3ccc(C(C)CC(=O)O)nc3)cc2o1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 14/20 0.45
ITGB1 P05556 12/20 0.45
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.36
WNT3A P56704 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 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
SCHEMBL6164218 0.91 RAB9A (0.36) ITGA4ITGB1HSD17B10HPGDMEN1
SCHEMBL6163082 0.89 ITGA4 (0.47) ITGA4ITGB1RAB9A
SCHEMBL7702288 0.89 ITGB1 (0.59) ITGA4ITGB1HPGDRAB9A
SCHEMBL5690943 0.89 ITGB1 (0.59) ITGA4ITGB1HPGDRAB9A
SCHEMBL6164253 0.83 ITGA4 (0.43) ITGA4ITGB1
SCHEMBL6165805 0.83 ITGB1 (0.42) ITGA4ITGB1HSD17B10HPGDMEN1
SCHEMBL5692089 0.82 ITGB1 (0.56) ITGA4ITGB1RAB9A
SCHEMBL5691018 0.82 ITGB1 (0.56) ITGA4ITGB1RAB9A
SCHEMBL6161296 0.80 SOAT1 (0.40) ITGA4ITGB1HSD17B10
SCHEMBL5692264 0.80 ITGB1 (0.63) ITGA4ITGB1HSD17B10HPGDMEN1

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 8 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 claimed
US-6706738-B2 ANTIARTHRITIC AGENTS; ANTIINFLAMMATORY AGENTS AVENTIS PHARMA LIMITED (GB) 2004-03-16 US claimed
US-20020173506-A1 Substituted bicyclic heteroaryl compounds and their use as integrin antagonists AVENTIS PHARMA LIMITED (GB) 2002-11-21 US claimed
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 ITGA4 2/4885ITGB1 5/4885HSD17B10 1996/4885

“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.