SCHEMBL6571802

SCHEMBL6571802

Cc1cc(C(Nc2ccc(C#N)cc2)C(N)=O)ccc1C(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FASN P49327 11/20 0.43
ACACB O00763 1/20 0.43
POLB P06746 1/20 0.40
SCN9A Q15858 1/20 0.38
PANK3 Q9H999 1/20 0.38
CCKBR P32239 1/20 0.38
DPP4 P27487 1/20 0.37
HPGD P15428 1/20 0.37
HAT1 O14929 1/20 0.37
EP300 Q09472 1/20 0.37

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
SCHEMBL6563505 0.79 ACACB (0.53) FASNACACBPOLBHPGD
SCHEMBL6556808 0.77 ACACB (0.53) FASNACACBPOLBSCN9ACCKBR
SCHEMBL6571797 0.73 ALDH1A1 (0.53) FASNACACBPOLBHPGD
SCHEMBL7566304 0.72 ACACB (0.41) FASNACACBPOLBCCKBRHPGD
SCHEMBL6564460 0.71 ACACB (0.51) ACACBHPGD
SCHEMBL5882357 0.70 MMP2 (0.43) POLBPANK3
SCHEMBL5885699 0.70 ACACB (0.50) ACACBCCKBR
SCHEMBL6571756 0.69 CA12 (0.34) FASNPANK3
SCHEMBL7558695 0.69 NAMPT (0.45) ACACBCCKBRHPGDHAT1EP300
SCHEMBL6573952 0.69 MMP2 (0.37) POLB

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
US-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 US disclosed
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 FASN 1439/4885ACACB 735/4885POLB 4091/4885

“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.