SCHEMBL6572911

SCHEMBL6572911

Cc1cc(C(=O)N2CCCC2C)c(C)cc1NC(=O)CNc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
PKM P14618 1/20 0.44
KCNK3 O14649 3/20 0.43
DPP4 P27487 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
FASN P49327 9/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 1/20 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
SCHEMBL6765245 0.85 GAA (0.42) ALDH1A1GAAMEN1MAPTKMT2A
SCHEMBL6573948 0.76 ALDH1A1 (0.47) ALDH1A1PKMGAAMEN1MAPT
SCHEMBL6571797 0.75 ALDH1A1 (0.53) ALDH1A1PKMFASNGAAMEN1
SCHEMBL6574337 0.72 ALDH1A1 (0.42) ALDH1A1PKMGAAMEN1MAPT
SCHEMBL13753518 0.72 GAA (0.69) ALDH1A1DPP4EGLN2GAA
SCHEMBL16208436 0.69 ALDH1A1 (0.59) ALDH1A1PKMGAAMEN1MAPT
SCHEMBL6565856 0.69 IMPDH2 (0.38) ALDH1A1KCNK3DPP4EGLN2FASN
SCHEMBL6565512 0.68 GAA (0.40) ALDH1A1GAAMEN1KMT2AHSD11B1
SCHEMBL6563410 0.67 GAA (0.40) ALDH1A1GAAMEN1KMT2AHSD11B1
SCHEMBL6572894 0.66 ALDH1A1 (0.52) ALDH1A1PKMGAAMEN1MAPT

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 764/4885KCNK3 2546/4885

“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.