SCHEMBL6556494

SCHEMBL6556494

CCNC(=O)CC(NC(=O)c1ccc(C(=O)N2CCCC2)c(C)c1)c1cccc(CN)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
KCNK3 O14649 4/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
PLAU P00749 1/20 0.36
CHRM2 P08172 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
MTTP P55157 1/20 0.34

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
SCHEMBL6554545 0.87 F10 (0.45) PLAUMEN1KMT2A
Hydrochloric Acid SCHEMBL6554956 0.86 F10 (0.44) PLAUMEN1KMT2A
SCHEMBL7558612 0.79 ACACB (0.41) ACACBPLAUKMT2A
SCHEMBL7558652 0.76 F10 (0.49) ROCK2ROCK1
Hydrochloric Acid SCHEMBL6554532 0.76 F10 (0.48) ROCK2ROCK1
SCHEMBL6556848 0.75 F10 (0.48) ROCK2
Hydrochloric Acid SCHEMBL6554772 0.75 F10 (0.47) ROCK2PLAU
SCHEMBL6554526 0.74 NAMPT (0.43) ACACBKCNK3ROCK2ROCK1
SCHEMBL6555861 0.74 F10 (0.45) PLAU
Hydrochloric Acid SCHEMBL6556499 0.73 F10 (0.44) PLAU

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-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP claimed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US claimed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO claimed
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 ACACB 2861/4885KCNK3 947/4885ROCK2 2609/4885

“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.