SCHEMBL3247265

SCHEMBL3247265

O=[N+]([O-])c1ccc(C=Cc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.63
CYP19A1 P11511 3/20 0.57
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
CYP1B1 Q16678 1/20 0.48
CES2 O00748 1/20 0.47
MEN1 O00255 3/20 0.46
NQO2 P16083 1/20 0.46
SNCA P37840 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR35 Q9HC97 1/20 0.46
HIF1A Q16665 1/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL3247258 1.00 NFE2L2 (0.63) NFE2L2CYP19A1KMT2AMAPTALDH1A1
SCHEMBL11776992 0.89 CYP19A1 (0.69) NFE2L2CYP19A1KMT2AMAPTALDH1A1
SCHEMBL11776986 0.89 CYP19A1 (0.69) NFE2L2CYP19A1KMT2AMAPTALDH1A1
SCHEMBL13767769 0.88 ALDH1A1 (0.60) CYP19A1KMT2AMAPTALDH1A1TDP1
SCHEMBL4935787 0.87 TLR4 (0.54) NFE2L2CYP19A1KMT2AMAPTALDH1A1
SCHEMBL4935784 0.87 TLR4 (0.54) NFE2L2CYP19A1KMT2AMAPTALDH1A1
SCHEMBL5248983 0.85 NFE2L2 (0.51) NFE2L2CYP19A1KMT2AMAPTALDH1A1
SCHEMBL3263469 0.84 MAPT (0.66) NFE2L2CYP19A1KMT2AMAPTALDH1A1
SCHEMBL3248725 0.84 NFE2L2 (0.61) NFE2L2CYP19A1KMT2AMAPTALDH1A1
SCHEMBL1405729 0.84 PTGS2 (0.58) CYP19A1KMT2AMAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246308-A1 METHOD FOR PRODUCING AROMATIC AMINE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2017-11-22 EP disclosed
EP-1685091-B1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS PROCTER & GAMBLE (US) 2010-05-19 EP disclosed
WO-2009148454-A1 METHOD OF MODIFYING A LENS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-12-10 WO disclosed
US-20080137032-A1 Optical lens and method of manufacturing GENERAL ELECTRIC COMPANY (US) 2008-06-12 US disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 US disclosed
US-20080085455-A1 Methods for storing holographic data and storage media derived therefrom GENERAL ELECTRIC COMPANY (US) 2008-04-10 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
US-3994724-A SUBSTITUTED ANILINE PHOTOCONDUCTOR SCOTT PAPER COMPANY (US) 1976-11-30 US 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 NFE2L2 242/4885CYP19A1 377/4885KMT2A 807/4885

“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.