SCHEMBL6570574

SCHEMBL6570574

Cc1ccc(NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.72
FFAR4 Q5NUL3 1/20 0.71
MAPT P10636 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 2/20 0.61
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 2/20 0.57
NPC1 O15118 1/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 1/20 0.57
PKM P14618 2/20 0.55
POLB P06746 2/20 0.55
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
CYTH2 Q99418 1/20 0.52

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
SCHEMBL6831222 0.90 ALDH1A1 (0.74) ALDH1A1FFAR4MAPTSMN1; SMN2GAA
SCHEMBL14511009 0.88 ALDH1A1 (0.64) ALDH1A1FFAR4MAPTSMN1; SMN2GAA
SCHEMBL7573014 0.87 ALDH1A1 (0.68) ALDH1A1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL17849557 0.87 PKM (0.71) ALDH1A1FFAR4MAPTSMN1; SMN2GAA
SCHEMBL13593629 0.85 ALDH1A1 (0.61) ALDH1A1FFAR4MAPTSMN1; SMN2GAA
SCHEMBL7580299 0.84 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2GAAKDM4EMEN1
SCHEMBL4968417 0.83 FFAR4 (0.71) ALDH1A1FFAR4MAPTSMN1; SMN2GAA
SCHEMBL10618991 0.83 FFAR4 (1.00) ALDH1A1FFAR4MAPTSMN1; SMN2GAA
SCHEMBL17557158 0.83 FFAR4 (0.71) ALDH1A1FFAR4MAPTSMN1; SMN2GAA
SCHEMBL8026293 0.83 FFAR4 (0.71) ALDH1A1FFAR4MAPTSMN1; SMN2GAA

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 ALDH1A1 669/4885FFAR4 662/4885MAPT 449/4885

“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.