SCHEMBL6162294

SCHEMBL6162294

COc1cccc(Nc2nc3ccc(CC(=O)Nc4ccc(C(C)CC(=O)O)nc4)cc3o2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
P2RY14 Q15391 3/20 0.45
USP2 O75604 1/20 0.43
MAPT P10636 6/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
PDGFRB P09619 1/20 0.42
FLT4 P35916 1/20 0.42
LMNA P02545 3/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
GMPS P49915 1/20 0.39

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
SCHEMBL6165216 0.91 IL6 (0.42) KMT2AMEN1P2RY14GAARAB9A
SCHEMBL6165223 0.91 IL6 (0.42) KMT2AMEN1P2RY14GAARAB9A
SCHEMBL6167394 0.90 MAPT (0.42) KMT2AMEN1P2RY14MAPTPOLB
SCHEMBL6164593 0.88 ITGA4 (0.46) KMT2AMEN1USP2MAPTPOLB
SCHEMBL6164584 0.88 ITGA4 (0.46) KMT2AMEN1USP2MAPTPOLB
SCHEMBL6165048 0.88 ALDH1A1 (0.41) KMT2AMEN1USP2POLBRAB9A
SCHEMBL6167396 0.87 MAPT (0.42) KMT2AMEN1P2RY14MAPTPOLB
SCHEMBL6165215 0.87 ITGA4 (0.43) P2RY14MAPT
SCHEMBL6164474 0.86 P2RY14 (0.42) KMT2AMEN1P2RY14USP2MAPT
SCHEMBL6163093 0.86 P2RY14 (0.42) KMT2AMEN1P2RY14USP2MAPT

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 KMT2A 3089/4885MEN1 4679/4885P2RY14 921/4885

“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.