SCHEMBL6163619

SCHEMBL6163619

CC(CC(=O)O)c1ccc(N(C)C(=O)Cc2ccc3nc(Nc4ccccn4)oc3c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 7/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
FAAH O00519 1/20 0.33
GALK1 P51570 1/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ITGB1 P05556 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGB6 P18564 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31

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 0.91 IL6 (0.37) ITGA4NPC1RAB9AMEN1KMT2A
SCHEMBL6162946 0.88 ITGA4 (0.39) ITGA4NPC1RAB9AMAPTITGB1
SCHEMBL6165498 0.88 ITGA4 (0.46) ITGA4NPC1RAB9AMAPTITGB1
SCHEMBL6165942 0.87 NPC1 (0.40) ITGA4NPC1RAB9AMAPTITGB1
SCHEMBL6165028 0.87 FAAH (0.34) ITGA4NPC1RAB9AFAAHITGB3
SCHEMBL6164196 0.87 ITGA4 (0.38) ITGA4MAPTITGB1POLB
SCHEMBL6166080 0.87 ITGA4 (0.34) ITGA4NPC1RAB9AMAPTITGB1
SCHEMBL6163439 0.86 ITGA4 (0.38) ITGA4MAPTITGB1SMN1; SMN2
SCHEMBL6163942 0.85 ITGA4 (0.41) ITGA4NPC1RAB9AMAPTITGB1
SCHEMBL6164518 0.85 ITGA4 (0.37) ITGA4RAB9AMAPTITGB1ALDH1A1

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 ITGA4 2/4885NPC1 1419/4885RAB9A 3747/4885

“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.