SCHEMBL6168720

SCHEMBL6168720

CCc1cccc(CC)c1Nc1nc2ccc(CC(=O)N(C)c3ccc(C(C)CC(=O)O)cn3)cc2o1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IL6 P05231 1/20 0.32
STAT3 P40763 1/20 0.32
ITGA4 P13612 6/20 0.32
MAPT P10636 2/20 0.31
ITGB1 P05556 1/20 0.31
BUB1 O43683 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL6163643 0.92 FFAR1 (0.38) FFAR1NPC1ALDH1A1PKMRAB9A
SCHEMBL6167235 0.89 IL6 (0.37) NPC1ALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL6161759 0.86 ITGA4 (0.39) FFAR1ITGA4MAPTITGB1
SCHEMBL6166078 0.86 GALK1 (0.34) FFAR1NPC1ALDH1A1PKMRAB9A
SCHEMBL6161076 0.86 ITGA4 (0.45) FFAR1LMNAPOLBNPC1ALDH1A1
SCHEMBL6164392 0.85 FAAH (0.34) FFAR1NPC1ALDH1A1RAB9AIL6
SCHEMBL6164212 0.85 ITGA4 (0.37) FFAR1LMNAPOLBNPC1ALDH1A1
SCHEMBL6161787 0.85 NPC1 (0.39) NPC1ALDH1A1RAB9ASMN1; SMN2ITGA4
SCHEMBL6166080 0.85 ITGA4 (0.34) LMNAPOLBNPC1ALDH1A1PKM
SCHEMBL6164661 0.85 MAPT (0.40) POLBNPC1ALDH1A1RAB9AMAPT

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 6 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
CN-1350534-A Substituted bicyclic heteroaryl compounds as integrin antagonists AVENTIS PHARMA LTD (GB) 2002-05-22 CN 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 FFAR1 84/4885LMNA 1222/4885POLB 4118/4885

“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.