SCHEMBL2954980

SCHEMBL2954980

COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.60
MAPT P10636 10/20 0.58
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
CYP1A2 P05177 4/20 0.58
CYP2C19 P33261 4/20 0.58
CYP2D6 P10635 3/20 0.58
HTT P42858 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 3/20 0.58
GAA P10253 2/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
NFKB1 P19838 1/20 0.58
MAPK1 P28482 1/20 0.58
STAT1 P42224 1/20 0.58
NPBWR1 P48145 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SAE1 Q9UBE0 1/20 0.58

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
SCHEMBL2957696 0.87 NOX1 (0.65) ALOX5MAPTMEN1KMT2ACYP1A2
SCHEMBL2126513 0.86 MAPT (0.74) ALOX5MAPTMEN1KMT2ACYP1A2
SCHEMBL7989904 0.84 MEN1 (0.54) ALOX5MAPTMEN1KMT2ACYP1A2
SCHEMBL2946263 0.84 MAPT (0.61) ALOX5MAPTMEN1KMT2ACYP1A2
SCHEMBL6469131 0.84 MMP13 (0.65) ALOX5MAPTMEN1KMT2ACYP1A2
SCHEMBL6469515 0.81 ALOX5 (0.71) ALOX5MAPTMEN1KMT2ACYP1A2
SCHEMBL6465023 0.81 NOX1 (0.60) ALOX5MAPTMEN1KMT2ACYP1A2
SCHEMBL7995168 0.80 MAPT (0.51) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL6449323 0.80 MAPK14 (0.77) ALOX5MAPTMEN1KMT2ACYP1A2
SCHEMBL6468507 0.80 ALOX5 (0.69) ALOX5MAPTMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749625-B2 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2010-07-06 US claimed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US claimed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP claimed
US-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections AXXIMA PHARMACEUTICAL AG. (DE) 2005-09-15 US claimed
EP-1532118-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Axxima Pharmaceuticals Aktiengesellschaft (DE) 2005-05-25 EP claimed
WO-2004005264-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2004-01-15 WO claimed
JP-3167531-A None JP disclosed
US-20240000821-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER UNIV JOHNS HOPKINS (US) 2024-01-04 US disclosed
US-20200078387-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER THE JOHNS HOPKINS UNIVERSITY 2020-03-12 US disclosed
WO-2018112342-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2018-06-21 WO disclosed
US-7749625-B2 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2010-07-06 US disclosed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US disclosed
US-7262252-B2 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD. (JP) 2007-08-28 US disclosed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP disclosed
US-20050209456-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor; angiogenesis inhibitor; anticancer agents CHIRON CORPORATION 2005-09-22 US disclosed
US-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections AXXIMA PHARMACEUTICAL AG. (DE) 2005-09-15 US disclosed
US-20050004253-A1 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD 2005-01-06 US disclosed
EP-1406116-A1 NONLINEAR OPTICAL MATERIAL CONTAINING FLUOROPOLYMER Daikin Industries, Ltd. (JP) 2004-04-07 EP disclosed
JP-H03167531-A NONLINEAR OPTICAL MATERIAL UBE IND LTD 1991-07-19 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 (2 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-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections CSNK1G1, CSNK1E, CSNK1D ALOX5 4787/4885MAPT 1480/4885MEN1 4673/4885
US-20050209456-A1 Vascular endothelial growth factor; tyrosine kinase inhibitor; angiogenesis inhibitor; anticancer agents KDR, FLT4, FLT1 ALOX5 3470/4885MAPT 3285/4885MEN1 2988/4885

“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.