SCHEMBL976044

SCHEMBL976044

CN(C)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
TSHR P16473 2/20 0.59
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
POLB P06746 2/20 0.58
KMT2A Q03164 2/20 0.58
PKM P14618 1/20 0.58
TDP1 Q9NUW8 4/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 1/20 0.58
NPSR1 Q6W5P4 1/20 0.54
PTGS2 P35354 4/20 0.53
LMNA P02545 1/20 0.50
ACHE P22303 4/20 0.49
BCHE P06276 2/20 0.48
CYP1A2 P05177 2/20 0.46
MAPK1 P28482 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 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
SCHEMBL31327401 1.00 MAPT (0.61) MAPTTSHRMEN1ALDH1A1POLB
SCHEMBL30443281 0.85 MAPT (0.66) MAPTTSHRMEN1ALDH1A1POLB
SCHEMBL719267 0.85 MAPT (0.66) MAPTTSHRMEN1ALDH1A1POLB
SCHEMBL31361989 0.82 MAPT (0.72) MAPTTSHRALDH1A1TDP1CYP3A4
SCHEMBL11744519 0.82 TSHR (0.51) MAPTTSHRMEN1ALDH1A1POLB
SCHEMBL30706306 0.82 LMNA (0.55) MAPTTSHRMEN1ALDH1A1POLB
SCHEMBL2038302 0.79 MAPT (0.73) MAPTTSHRMEN1ALDH1A1KMT2A
SCHEMBL19427142 0.79 MAPT (0.52) MAPTTSHRMEN1ALDH1A1POLB
SCHEMBL1913458 0.78 TSHR (0.51) MAPTTSHRMEN1ALDH1A1POLB
SCHEMBL22115093 0.78 TSHR (0.51) MAPTTSHRMEN1ALDH1A1POLB

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791121-B1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-08-03 EP disclosed
US-8815895-B2 Mediators of hedgehog signaling pathways, compositions and uses related hereto CURIS, INC. (US) 2014-08-26 US disclosed
US-8815895-B2 Mediators of hedgehog signaling pathways, compositions and uses related hereto CURIS, INC. (US) 2014-08-26 US disclosed
EP-1807074-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2013-10-23 EP disclosed
US-8524745-B2 Benzisothiazol-3(1H)-one-5-sulfonyl derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-09-03 US disclosed
US-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-13 US disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO CURIS, INC. (US) 2012-11-08 US disclosed
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO CURIS, INC. (US) 2012-11-08 US disclosed
EP-1888579-A2 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF Aventis Pharma S.A. (FR) 2008-02-20 EP disclosed
WO-2006123061-A2 FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-11-23 WO disclosed
US-20050288324-A1 Aromatic sulfonamides as peroxynitrite-rearrangement catalysts BLUME THORSTEN 2005-12-29 US disclosed
US-6946466-B2 Aromatic sulfonamides as peroxynitrite-rearrangement catalysts SCHERING AG (DE) 2005-09-20 US disclosed
WO-2004089882-A2 AROMATIC SULFONAMIDES AS PEROXYNITRITE-REARRANGEMENT CATALYSTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-10-21 WO disclosed
US-20040204452-A1 Aromatic sulfonamides as peroxynitrite-rearrangement catalysts SCHERING AG (DE) 2004-10-14 US disclosed
US-5529583-A HAIR DYE CLAIROL INCORPORATED (US) 1996-06-25 US disclosed
EP-0635483-A1 Process for preparing nitroaniline derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-25 EP disclosed
EP-0145513-B1 DERIVATIVES OF DIMETHYL-3-NITRO-4-AMINO-ANILINE, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE DYEING OF KERATIN FIBRES L'OREAL (FR) 1988-03-23 EP disclosed
EP-0145513-A2 Derivatives of dimethyl-3-nitro-4-amino-aniline, process for their preparation and their use in the dyeing of keratin fibres L'OREAL (FR) 1985-06-19 EP 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 (4 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-20050288324-A1 Aromatic sulfonamides as peroxynitrite-rearrangement catalysts SQOR, GSR, PPOX MAPT 2502/4885TSHR 891/4885MEN1 4727/4885
US-20040204452-A1 Aromatic sulfonamides as peroxynitrite-rearrangement catalysts SQOR, NOX1, GSR MAPT 2315/4885TSHR 969/4885MEN1 4545/4885
US-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CCR5, CCR2, CX3CR1 MAPT 4339/4885TSHR 676/4885MEN1 4521/4885
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO SHH, SMO, GLI1 MAPT 4728/4885TSHR 553/4885MEN1 1166/4885

“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.