SCHEMBL6574382

SCHEMBL6574382

Cc1cc(C(=O)C(C)C)c(C)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.38
ALOX15 P16050 1/20 0.38
CASP7 P55210 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
DBH P09172 1/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 2/20 0.36
FFAR1 O14842 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL10518971 0.86 CYP3A4 (0.41) MAPK1CYP3A4TSHRTDP1MAPT
SCHEMBL26177667 0.83 POLB (0.46) TDP1ALDH1A1HSD17B10KDM4EGAA
SCHEMBL6563358 0.80 CHRNA1 (0.41) TSHRTDP1KDM4EGAADBH
SCHEMBL274410 0.77 GABRP (0.52) MAPK1CYP3A4TSHRTDP1MAPT
SCHEMBL19161558 0.77 TSHR (0.50) MAPK1CYP3A4TSHRTDP1MAPT
SCHEMBL29310318 0.75 FFAR1 (0.48) TDP1ALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL24413625 0.73 KDM4E (0.47) MAPK1CYP3A4TDP1MAPTALDH1A1
SCHEMBL18878382 0.73 NPSR1 (0.37) MAPK1TDP1ALDH1A1ALOX15KDM4E
SCHEMBL5361341 0.73 KDM4E (0.49) ALDH1A1KDM4EGAAPOLBGFER
SCHEMBL19598684 0.72 CYP3A4 (0.50) MAPK1CYP3A4TSHRTDP1MAPT

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 MAPK1 1621/4885CYP3A4 22/4885TSHR 3214/4885

“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.