SCHEMBL6570647

SCHEMBL6570647

Cc1c(NC(=O)Cc2ccc(C#N)cc2)ccc(NS(=O)(=O)c2ccccc2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.54
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
METAP2 P50579 4/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
RORC P51449 1/20 0.47
KDM4E B2RXH2 1/20 0.46
IDO1 P14902 1/20 0.45
SLC22A12 Q96S37 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM1A O60341 1/20 0.44
ACLY P53396 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
SCHEMBL6574363 0.89 MCL1 (0.47) MCL1ALDH1A1GAAHTTMETAP2
SCHEMBL6569935 0.87 MCL1 (0.49) MCL1ALDH1A1GAAHTTMETAP2
SCHEMBL6762133 0.85 POLB (0.53) MCL1ALDH1A1HDAC1HDAC8RORC
SCHEMBL6571948 0.84 HDAC1 (0.48) MCL1ALDH1A1GAAHTTHDAC1
SCHEMBL6766536 0.83 HDAC1 (0.52) MCL1HDAC1HDAC8RORCMEN1
SCHEMBL6765941 0.81 F2 (0.59) MCL1ALDH1A1GAAHTTMETAP2
SCHEMBL6574016 0.81 HDAC1 (0.51) MCL1ALDH1A1GAAHTTHDAC1
SCHEMBL6767177 0.81 HDAC1 (0.51) MCL1HDAC1HDAC8RORCMEN1
SCHEMBL6766083 0.80 HDAC1 (0.51) MCL1METAP2HDAC1HDAC8RORC
SCHEMBL6765129 0.79 MGAT2 (0.56) ALDH1A1HDAC1HDAC8RORCHPGD

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 3667/4885ALDH1A1 669/4885GAA 454/4885

“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.