SCHEMBL6572898

SCHEMBL6572898

Cc1ccc(NS(=O)(=O)c2cccc3c2NCCC3)cc1NC(=O)Cc1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
RORC P51449 7/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
PARP1 P09874 1/20 0.36
F2 P00734 1/20 0.36
TP53 P04637 1/20 0.36
IDO1 P14902 1/20 0.36
AKT1 P31749 1/20 0.35
PKM P14618 1/20 0.34
PKLR P30613 1/20 0.34
CTSD P07339 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
SCHEMBL6762034 0.87 F2 (0.41) LMNAALDH1A1F2TP53
SCHEMBL6574056 0.79 RORC (0.45) IDH1RORCLMNAALDH1A1IDO1
SCHEMBL6766536 0.78 HDAC1 (0.52) RORCLMNA
SCHEMBL6571783 0.78 LMNA (0.51) IDH1RORCLMNAALDH1A1IDO1
SCHEMBL6574032 0.77 HIF1A (0.43) IDH1RORCLMNAALDH1A1
SCHEMBL6574325 0.76 LMNA (0.44) IDH1RORCLMNAALDH1A1TP53
SCHEMBL6572882 0.73 MEN1 (0.52) ALDH1A1TP53PKMPKLR
SCHEMBL6765129 0.73 MGAT2 (0.56) RORCLMNAALDH1A1
SCHEMBL6764580 0.71 HDAC1 (0.45) RORCLMNAPARP1IDO1
SCHEMBL6762133 0.71 POLB (0.53) RORCLMNAALDH1A1PKM

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 IDH1 602/4885RORC 1596/4885LMNA 1447/4885

“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.