SCHEMBL497457

SCHEMBL497457

O=[N+]([O-])c1ccccc1Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.80
ALDH1A1 P00352 4/20 0.80
MAPK1 P28482 3/20 0.80
L3MBTL1 Q9Y468 3/20 0.80
CASP7 P55210 1/20 0.80
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
MAPT P10636 4/20 0.71
GAA P10253 2/20 0.71
PKM P14618 1/20 0.71
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EPAS1 Q99814 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
HCAR3 P49019 1/20 0.51
POLB P06746 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL11507400 0.96 ALDH1A1 (0.79) TDP1ALDH1A1MAPK1L3MBTL1CASP7
SCHEMBL11506844 0.91 ALDH1A1 (0.89) TDP1ALDH1A1MAPK1L3MBTL1CASP7
SCHEMBL6677786 0.90 MAPK1 (0.65) TDP1ALDH1A1MAPK1L3MBTL1CASP7
SCHEMBL31333098 0.89 TDP1 (1.00) TDP1ALDH1A1MAPK1L3MBTL1CASP7
SCHEMBL230292 0.89 TDP1 (1.00) TDP1ALDH1A1MAPK1L3MBTL1CASP7
SCHEMBL13862153 0.87 TDP1 (0.66) TDP1ALDH1A1MAPK1L3MBTL1CASP7
SCHEMBL27481715 0.87 MAPK1 (0.65) TDP1ALDH1A1MAPK1L3MBTL1CASP7
SCHEMBL5718635 0.84 MAPK1 (0.77) TDP1ALDH1A1MAPK1L3MBTL1CASP7
SCHEMBL27482796 0.84 MAPK1 (0.57) TDP1ALDH1A1MAPK1L3MBTL1CASP7
SCHEMBL5159865 0.83 L3MBTL1 (0.68) TDP1ALDH1A1MAPK1L3MBTL1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
US-8362019-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds SPELMAN COLLEGE (US) 2013-01-29 US disclosed
US-8357691-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2013-01-22 US disclosed
US-8357691-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2013-01-22 US disclosed
US-8334302-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds SPELMAN COLLEGE (US) 2012-12-18 US disclosed
US-8334302-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds SPELMAN COLLEGE (US) 2012-12-18 US disclosed
US-8334302-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds SPELMAN COLLEGE (US) 2012-12-18 US disclosed
US-8329728-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-c]pyridine compounds SPELMAN COLLEGE (US) 2012-12-11 US disclosed
US-8329728-B2 Synthesis and anti-proliferative effect of substituted imidazo[4,5-c]pyridine compounds SPELMAN COLLEGE (US) 2012-12-11 US disclosed
US-20110152278-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2011-06-23 US disclosed
US-7947723-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2011-05-24 US disclosed
US-7947723-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2011-05-24 US disclosed
US-7947723-B2 Synthesis and anti-proliferative effect of benzimidazole derivatives SPELMAN COLLEGE (US) 2011-05-24 US disclosed
US-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2009-08-06 US disclosed
US-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2009-08-06 US disclosed
US-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES SPELMAN COLLEGE (US) 2009-08-06 US disclosed
US-7070868-B2 Organic element for electroluminescent devices EASTMAN KODAK COMPANY (US) 2006-07-04 US disclosed
WO-2005075599-A1 ORGANIC ELEMENT FOR ELECTROLUMINESCENT DEVICES EASTMAN KODAK COMPANY (US) 2005-08-18 WO disclosed
US-20050170203-A1 Organic element for electroluminescent devices EASTMAN KODAK COMPANY 2005-08-04 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 (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-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, PCNA, CCNI TDP1 1495/4885ALDH1A1 1352/4885MAPK1 1644/4885
US-20110152278-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, PCNA, CCNI TDP1 1495/4885ALDH1A1 1352/4885MAPK1 1644/4885

“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.