SCHEMBL6571797

SCHEMBL6571797

Cc1cc(NC(=O)CNc2ccc(C#N)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
ACACB O00763 1/20 0.44
FASN P49327 9/20 0.44
F10 P00742 1/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
PAK4 O96013 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL6761997 0.83 F10 (0.48) ALDH1A1MAPTF10POLBHPGD
SCHEMBL7533942 0.82 ANO1 (0.50) ALDH1A1ACACBFASNF10POLB
SCHEMBL6572894 0.80 ALDH1A1 (0.52) ALDH1A1PKMMAPTMEN1GAA
SCHEMBL5091241 0.79 ALDH1A1 (0.45) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL6556808 0.79 ACACB (0.53) GAAKMT2AACACBFASNPOLB
SCHEMBL6556557 0.76 CDK1 (0.42) ALDH1A1ACACBFASNF10HPGD
SCHEMBL3428379 0.75 MEN1 (0.55) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL6572911 0.75 ALDH1A1 (0.44) ALDH1A1PKMMAPTMEN1GAA
SCHEMBL7122185 0.75 ALDH1A1 (0.41) ALDH1A1MAPTACACBF10HPGD
SCHEMBL5099764 0.75 MET (0.46) ALDH1A1METNPC1RAB9A

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 ALDH1A1 669/4885PKM 764/4885MAPT 449/4885

“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.