SCHEMBL3263469

SCHEMBL3263469

O=[N+]([O-])c1ccc(/C=C/c2ccncc2)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
NPC1 O15118 4/20 0.66
RAB9A P51151 3/20 0.66
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 3/20 0.47
LMNA P02545 2/20 0.47
CYP19A1 P11511 1/20 0.46
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
NFE2L2 Q16236 1/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
GPR35 Q9HC97 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL3263470 1.00 MAPT (0.66) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL13767769 0.85 ALDH1A1 (0.60) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL3247258 0.84 NFE2L2 (0.63) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL3247265 0.84 NFE2L2 (0.63) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL1405729 0.82 PTGS2 (0.58) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL3248725 0.82 NFE2L2 (0.61) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL1405731 0.82 PTGS2 (0.58) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL3248727 0.82 NFE2L2 (0.61) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL62411 0.80 MAPT (1.00) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL62412 0.80 MAPT (1.00) MAPTNPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685091-B1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS PROCTER & GAMBLE (US) 2010-05-19 EP disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 US disclosed
EP-1685091-A1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS Wella Aktiengesellschaft (DE) 2006-08-02 EP disclosed
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants Wella GmbH (DE) 2006-03-02 US disclosed
WO-2005051889-A1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS WELLA AKTIENGESELLSCHAFT (DE) 2005-06-09 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-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants DDT, NQO1, MDH2 MAPT 2944/4885NPC1 4726/4885RAB9A 3667/4885

“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.