SCHEMBL6167396

SCHEMBL6167396

COc1cccc(Nc2nc3ccc(CC(=O)N(C)c4ccc(C(C)CC(=O)O)nc4)cc3o2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC6 Q9UBN7 1/20 0.38
HPSE Q9Y251 1/20 0.36
P2RY14 Q15391 1/20 0.35
OXTR P30559 1/20 0.34
EGFR P00533 1/20 0.34
MTNR1B P49286 2/20 0.34
MTNR1A P48039 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL6163118 0.92 IL6 (0.37) MAPTMEN1KMT2APOLBGAA
SCHEMBL6163439 0.88 ITGA4 (0.38) MAPT
SCHEMBL6165028 0.88 FAAH (0.34) RAB9AHDAC6NPC1
SCHEMBL6162294 0.87 KMT2A (0.45) MAPTMEN1KMT2APOLBGAA
SCHEMBL6167394 0.87 MAPT (0.42) MAPTMEN1KMT2APOLBGAA
SCHEMBL6162946 0.86 ITGA4 (0.39) MAPTRAB9ANPC1
SCHEMBL6164661 0.86 MAPT (0.40) MAPTMEN1KMT2APOLBGAA
SCHEMBL6166080 0.85 ITGA4 (0.34) MAPTPOLBRAB9ANPC1
SCHEMBL6163619 0.84 ITGA4 (0.35) MAPTMEN1KMT2APOLBRAB9A
SCHEMBL6165498 0.84 ITGA4 (0.46) MAPTPOLBRAB9ANPC1

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 4679/4885KMT2A 3089/4885

“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.