SCHEMBL2914660

SCHEMBL2914660

Cc1cc(C)nc(NS(C)(=O)=O)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
GAA P10253 5/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP3A4 P08684 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 2/20 0.42
MAPK1 P28482 1/20 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
SCHEMBL12038996 0.80 TSHR (0.55) TSHRGAAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL31011107 0.78 TSHR (0.58) TSHRGAAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2590804 0.78 TSHR (0.53) TSHRGAAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2590807 0.78 GAA (0.54) TSHRGAAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL19539217 0.77 KEAP1 (0.46) TSHRGAAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL13595456 0.77 TSHR (0.51) TSHRGAAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL11170465 0.76 ALDH1A1 (0.40) TSHRGAAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9505958 0.76 ADRB3 (0.36) TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL18719350 0.76 KIF11 (0.38) TSHRGAAKMT2ALMNAKDM4E
SCHEMBL12522323 0.75 MAPK1 (0.69) ALDH1A1POLBKMT2ALMNAMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
US-8357673-B2 4-arylazo-3,5-diamino-pyrazole compounds and use thereof UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-01-22 US disclosed
WO-2012162025-A1 METHODS OF SELECTING CANCER PATIENTS FOR TREATMENT WITH N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-29 WO disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
EP-1263722-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA SA (FR) 2010-08-25 EP disclosed
CN-1418192-A Pharmaceutical compositions containing azetidine derivatives novel azetidine derivatives and preparation thereof AVENTIS PHARMA SA (FR) 2003-05-14 CN disclosed
EP-1263722-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
US-6355631-B1 TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA AVENTIS PHARMA S.A. (FR) 2002-03-12 US disclosed
WO-2001064634-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA S.A. (FR) 2001-09-07 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 (2 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT TSHR 4506/4885GAA 2514/4885ALDH1A1 3464/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT TSHR 4506/4885GAA 2514/4885ALDH1A1 3464/4885

“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.