SCHEMBL6572882

SCHEMBL6572882

Cc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1NC(=O)Cc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
TP53 P04637 2/20 0.49
PKLR P30613 2/20 0.49
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATM Q13315 1/20 0.45
GLO1 Q04760 1/20 0.45
HTT P42858 1/20 0.45
FABP1 P07148 1/20 0.45

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
SCHEMBL6765251 0.86 F2 (0.59) MEN1KMT2ATP53PKLRALDH1A1
SCHEMBL6762133 0.80 POLB (0.53) MEN1KMT2AALDH1A1PKM
SCHEMBL7352541 0.77 PKLR (0.48) MEN1KMT2ATP53PKLRALDH1A1
SCHEMBL6633986 0.76 PKLR (0.54) MEN1KMT2APKLRALDH1A1GAA
SCHEMBL2690153 0.75 MEN1 (0.66) MEN1KMT2ATP53PKLRALDH1A1
SCHEMBL8524454 0.75 PKLR (0.49) MEN1KMT2APKLRALDH1A1GAA
SCHEMBL6570560 0.75 F2 (0.45) HTT
SCHEMBL8525044 0.75 PKLR (0.49) MEN1KMT2ATP53PKLRALDH1A1
SCHEMBL7358689 0.75 NTSR1 (0.67) MEN1KMT2ATP53PKLRALDH1A1
SCHEMBL8016188 0.74 ALDH1A1 (0.49) MEN1KMT2ATP53PKLRALDH1A1

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 MEN1 1875/4885KMT2A 1232/4885TP53 4032/4885

“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.