SCHEMBL497083

SCHEMBL497083

O=[N+]([O-])c1ccccc1Nc1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
MAPK1 P28482 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
CASP7 P55210 1/20 0.65
MAPT P10636 7/20 0.62
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
GAA P10253 1/20 0.62
PKM P14618 1/20 0.62
EPAS1 Q99814 1/20 0.54
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 2/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
LRRK2 Q5S007 1/20 0.50
CYP3A4 P08684 1/20 0.49

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
Ammonia Solution, Strong SCHEMBL27767104 0.98 ALDH1A1 (0.63) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL11506844 0.84 ALDH1A1 (0.89) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL2329657 0.84 MEN1 (0.58) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL7167600 0.83 TDP1 (0.79) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL27560723 0.83 MAPT (0.46) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL26468007 0.81 TDP1 (0.77) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL26683150 0.81 TDP1 (0.65) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL21464090 0.80 MAPK1 (0.55) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL30615387 0.80 MAPK1 (0.55) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL11507400 0.80 ALDH1A1 (0.79) ALDH1A1MAPK1TDP1L3MBTL1CASP7

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 36 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-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
CN-101600701-A Arylsulfonamide derivatives and methods of use thereof WYETH CORP (US) 2009-12-09 CN 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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 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 (3 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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 ALDH1A1 687/4885MAPK1 1634/4885TDP1 367/4885
US-20090197889-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, PCNA, CCNI ALDH1A1 1352/4885MAPK1 1644/4885TDP1 1495/4885
US-20110152278-A1 SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES MKI67, PCNA, CCNI ALDH1A1 1352/4885MAPK1 1644/4885TDP1 1495/4885

“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.