SCHEMBL6554526

SCHEMBL6554526

Cc1cc(C(=O)NC(CC(=O)O)c2cccc(C#N)c2)ccc1C(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
KCNK3 O14649 1/20 0.42
CTSA P10619 2/20 0.42
PIN1 Q13526 1/20 0.42
ACACB O00763 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGB5 P18084 1/20 0.41
ITGB6 P18564 1/20 0.41
ITGB8 P26012 1/20 0.41
CYP26A1 O43174 1/20 0.41
GPR139 Q6DWJ6 1/20 0.40
CCKBR P32239 1/20 0.40
ADORA2A P29274 3/20 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
SCHEMBL6342009 0.91 NAMPT (0.43) NAMPTROCK2ROCK1KCNK3CTSA
SCHEMBL6554528 0.90 NAMPT (0.43) NAMPTKCNK3ACACBGPR139CCKBR
SCHEMBL7558695 0.86 NAMPT (0.45) NAMPTKCNK3ACACBGPR139CCKBR
SCHEMBL6555829 0.85 ACACB (0.42) CTSAPIN1ACACB
SCHEMBL7558652 0.84 F10 (0.49) ROCK2ROCK1ITGB3
Hydrochloric Acid SCHEMBL6554532 0.83 F10 (0.48) ROCK2ROCK1ITGB3
SCHEMBL6350201 0.81 ROCK2 (0.42) NAMPTROCK2ROCK1KCNK3ITGB3
SCHEMBL7560820 0.80 ROCK2 (0.39) NAMPTROCK2KCNK3ITGB3CCKBR
SCHEMBL6341178 0.79 NAMPT (0.40) NAMPTROCK2ROCK1KCNK3PIN1
SCHEMBL6341179 0.79 NAMPT (0.41) NAMPTROCK2ROCK1KCNK3PIN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 NAMPT 2476/4885ROCK2 2609/4885ROCK1 1681/4885

“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.