SCHEMBL772346

SCHEMBL772346

Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1N

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.55
TDP1 Q9NUW8 5/20 0.55
ALDH1A1 P00352 4/20 0.55
TSHR P16473 6/20 0.53
CYP1A2 P05177 2/20 0.53
RECQL P46063 1/20 0.53
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.44
GPR35 Q9HC97 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL30675090 0.89 TSHR (0.57) CYP3A4TDP1ALDH1A1TSHRCYP1A2
SCHEMBL1464001 0.89 TSHR (0.57) CYP3A4TDP1ALDH1A1TSHRCYP1A2
SCHEMBL10488867 0.89 TSHR (0.57) CYP3A4TDP1ALDH1A1TSHRCYP1A2
SCHEMBL9652342 0.89 TSHR (0.57) CYP3A4TDP1ALDH1A1TSHRCYP1A2
SCHEMBL6672279 0.89 TSHR (0.57) CYP3A4TDP1ALDH1A1TSHRCYP1A2
SCHEMBL866951 0.87 CYP3A4 (0.52) CYP3A4TDP1ALDH1A1TSHRCYP1A2
SCHEMBL30932744 0.87 CYP3A4 (0.52) CYP3A4TDP1ALDH1A1TSHRCYP1A2
SCHEMBL616063 0.85 ALDH1A1 (0.50) CYP3A4TDP1ALDH1A1TSHRCYP1A2
SCHEMBL30291047 0.85 CYP1A2 (0.53) CYP3A4TDP1ALDH1A1TSHRCYP1A2
SCHEMBL18398966 0.85 CYP1A2 (0.53) CYP3A4TDP1ALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-7214509-B2 Methods and compositions for degradation of nitroaromatic and nitramine pollutants UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2007-05-08 US disclosed
US-20050054030-A1 Methods and compositions for degradation of nitroaromatic and nitramine pollutants UNIVERSITY OF IOWA RESEARCH FOUNDATION 2005-03-10 US disclosed
WO-2005019136-A2 METHODS AND COMPOSITIONS FOR DEGRADATION OF NITROAROMATIC AND NITRAMINE POLLUTANTS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2005-03-03 WO disclosed
EP-1172356-B1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6630598-B2 Reacting nitroaniline compound with acid chloride/anhydride in presence of alkali metal/earth metal compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-07 US disclosed
US-20020016506-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED 2002-02-07 US disclosed
EP-1172356-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-16 EP disclosed
US-4323682-A BLEACHING CATALYSTS CIBA GEIGY AG (CH) 1982-04-06 US disclosed
US-4202698-A DYE BLEACH CATALYSTS CIBA-GEIGY AG (CH) 1980-05-13 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 (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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP CYP3A4 1201/4885TDP1 376/4885ALDH1A1 1899/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP CYP3A4 1201/4885TDP1 376/4885ALDH1A1 1899/4885
US-20020016506-A1 Process for producing N-acylnitroaniline derivative NAAA, NAT1, ACOT7 CYP3A4 602/4885TDP1 3946/4885ALDH1A1 824/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP CYP3A4 1201/4885TDP1 376/4885ALDH1A1 1899/4885

“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.