SCHEMBL394289

SCHEMBL394289

O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.79
ALDH1A1 P00352 3/20 0.69
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
CTSD P07339 1/20 0.65
HTT P42858 2/20 0.63
PHGDH O43175 1/20 0.63
GAA P10253 1/20 0.63
NCOA1 Q15788 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NCOA3 Q9Y6Q9 1/20 0.63
POLB P06746 1/20 0.63
ATM Q13315 1/20 0.60

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
SCHEMBL4958316 0.89 KCNMA1 (0.64) KCNMA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7722700 0.89 ALDH1A1 (0.68) KCNMA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7825604 0.89 KCNMA1 (0.73) KCNMA1ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL7759260 0.89 KCNMA1 (1.00) KCNMA1ALDH1A1MEN1KMT2AHTT
SCHEMBL28069367 0.89 KCNMA1 (0.78) KCNMA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4958325 0.89 KCNMA1 (0.64) KCNMA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5181163 0.87 KMT2A (0.76) KCNMA1ALDH1A1MEN1KMT2AHTT
SCHEMBL1963164 0.87 KMT2A (0.65) KCNMA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7717663 0.87 ALDH1A1 (0.66) KCNMA1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5226740 0.87 KCNMA1 (0.67) KCNMA1ALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998024776-A1 PREPARATION OF AN AMINOARYLAMINOARAZOLE THE DOW CHEMICAL COMPANY (US) 1998-06-11 WO claimed
US-5739344-A Preparation of an aminoarylaminoarazole THE DOW CHEMICAL COMPANY (US) 1998-04-14 US claimed
JP-63239257-A None JP disclosed
JP-59219255-A None JP disclosed
JP-3204847-A None JP disclosed
US-8101731-B2 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORPORATION 2012-01-24 US disclosed
US-20100199443-A1 YELLO ANIONIC DISAZO DYES LENNARTZ MICHAEL 2010-08-12 US disclosed
US-7723494-B2 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-20080114158-A1 Yellow anionic disazo dyes LENNARTZ MICHAEL 2008-05-15 US disclosed
US-7341607-B2 Based on diaminobenzanilides or, more specifically (aminobenzoylamino),(sulfo-),(methoxy)anilines; stable aqueous solutions;nonbleeding/colorfastness; excellent degrees of exhaustion with high colour strength; dyeing natural or synthetic materials, particularly, paper; neutral or greenish-yellow hues CIBA SPECIALTY CHEMICALS CORP. (US) 2008-03-11 US disclosed
US-20050172420-A1 Yellow anionic disazo dyes CIBA SPECIALTY CHEMICALS CORP. 2005-08-11 US disclosed
WO-1998024776-A1 PREPARATION OF AN AMINOARYLAMINOARAZOLE THE DOW CHEMICAL COMPANY (US) 1998-06-11 WO disclosed
US-5739344-A Preparation of an aminoarylaminoarazole THE DOW CHEMICAL COMPANY (US) 1998-04-14 US disclosed
JP-H03204847-A PRODUCTION OF DIAMINOBENZANILIDES NIPPON STEEL CHEM CO LTD 1991-09-06 JP disclosed
JP-S63239257-A PRODUCTION OF DIAMINOBENZANILIDE DERIVATIVE NIPPON STEEL CHEM CO LTD 1988-10-05 JP disclosed
US-4673773-A AROMATIC POLYAMIDE DIELECTRIC UBE INDUSTRIES, LTD. (JP) 1987-06-16 US disclosed
US-4595745-A Polycondensation product of aromatic dicarboxylic acid component comprising acids and acid halides with organic diamine comprising diamino chalcone and ester or ether containing diamine and nonphotocrosslinkable diamine UBE INDUSTRIES, LTD. (JP) 1986-06-17 US disclosed
JP-S59219255-A NOVEL AROMATIC DIAMINE COMPOUND UBE IND LTD 1984-12-10 JP disclosed
US-4268592-A PYRAZOLONE MAGENTA COUPLER CIBA-GEIGY AG (CH) 1981-05-19 US disclosed
US-4268591-A YELLOW COUPLER CIBA-GEIGY AG (CH) 1981-05-19 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-20050172420-A1 Yellow anionic disazo dyes IK, CYB5R3, DCXR KCNMA1 1575/4885ALDH1A1 3371/4885CYP1A2 3109/4885

“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.