SCHEMBL394290

SCHEMBL394290

O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.61
GAA P10253 3/20 0.61
HTT P42858 1/20 0.61
NCOA1 Q15788 1/20 0.61
NCOA3 Q9Y6Q9 1/20 0.61
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.53
CXCR1 P25024 1/20 0.52
CXCR2 P25025 1/20 0.52
P2RX1 P51575 1/20 0.52
LMNA P02545 1/20 0.52
SLC12A2 P55011 1/20 0.52
SLC12A5 Q9H2X9 1/20 0.52

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
SCHEMBL995085 0.87 GAA (0.77) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL1692055 0.85 P2RX1 (0.66) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL1083490 0.85 MEN1 (0.63) MEN1KMT2ASMN1; SMN2HTTCYP1A2
SCHEMBL2021784 0.85 MEN1 (0.65) MEN1KMT2ASMN1; SMN2GAAHTT
Methyl Alcohol SCHEMBL4957272 0.84 GAA (0.73) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL11492889 0.84 MEN1 (0.53) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL10841799 0.84 MEN1 (0.64) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL4045541 0.84 MEN1 (0.65) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL27651199 0.84 MEN1 (0.64) MEN1KMT2ASMN1; SMN2GAAHTT
Ethane SCHEMBL27774960 0.82 KMT2A (0.66) MEN1KMT2ASMN1; SMN2GAAHTT

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-59219255-A None JP disclosed
JP-63239257-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
CN-1038838-A POLYETHER ANTIBIOTIC LILLY CO ELI (US) 1990-01-17 CN disclosed
CN-1038838-A POLYETHER ANTIBIOTIC LILLY CO ELI (US) 1990-01-17 CN 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

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 MEN1 3799/4885KMT2A 1359/4885SMN1; SMN2 4688/4885

“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.