SCHEMBL6569935

SCHEMBL6569935

Cc1cc(C)c(NS(=O)(=O)c2ccccc2)cc1NC(=O)Cc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
RORC P51449 3/20 0.46
IDO1 P14902 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
LMNA P02545 3/20 0.45
PI4KB Q9UBF8 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACLY P53396 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
METAP2 P50579 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL6766536 0.88 HDAC1 (0.52) MCL1RORCHDAC1HDAC8LMNA
SCHEMBL6762133 0.88 POLB (0.53) MCL1RORCHDAC1HDAC8LMNA
SCHEMBL6764618 0.87 RORC (0.47) RORCIDO1LMNAACLYHPGD
SCHEMBL6570647 0.87 MCL1 (0.54) MCL1RORCIDO1HDAC1HDAC8
SCHEMBL6571948 0.85 HDAC1 (0.48) MCL1RORCIDO1HDAC1HDAC8
SCHEMBL6570560 0.84 F2 (0.45) RORCIDO1LMNAPOLBHTT
SCHEMBL6765129 0.83 MGAT2 (0.56) RORCHDAC1HDAC8LMNAHPGD
SCHEMBL6574363 0.83 MCL1 (0.47) MCL1RORCIDO1HDAC1HDAC8
SCHEMBL6574016 0.83 HDAC1 (0.51) MCL1RORCHDAC1HDAC8LMNA
SCHEMBL6764877 0.82 F2 (0.57) MCL1HDAC1HDAC8

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 MCL1 3667/4885RORC 1596/4885IDO1 175/4885

“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.