SCHEMBL6163004

SCHEMBL6163004

COc1ccc(C)cc1Nc1nc2ccc(CC(=O)Nc3ccc(C(C)CC(=O)O)nc3)cc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 4/20 0.43
POLB P06746 3/20 0.43
USP2 O75604 3/20 0.43
GAA P10253 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
MEN1 O00255 1/20 0.43
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
EPHX2 P34913 1/20 0.41
TP53 P04637 4/20 0.41
KDR P35968 2/20 0.40
LMNA P02545 5/20 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
SCHEMBL6164584 0.92 ITGA4 (0.46) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6164593 0.92 ITGA4 (0.46) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6165563 0.91 MAPT (0.39) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6163082 0.86 ITGA4 (0.47) MAPTPOLBITGB1ITGA4TP53
SCHEMBL6165568 0.85 MAPT (0.38) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6165109 0.85 ITGB1 (0.41) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6165223 0.84 IL6 (0.42) ALDH1A1KDM4EHSD17B10GAAMEN1
SCHEMBL6165216 0.84 IL6 (0.42) ALDH1A1KDM4EHSD17B10GAAMEN1
SCHEMBL6164253 0.84 ITGA4 (0.43) MAPTITGB1ITGA4TP53SMN1; SMN2
SCHEMBL6162294 0.84 KMT2A (0.45) MAPTHSD17B10POLBUSP2GAA

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 4812/4885ALDH1A1 667/4885HPGD 1523/4885

“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.