SCHEMBL1725804

SCHEMBL1725804

COc1cc(N)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
ALDH1A1 P00352 7/20 0.49
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
TPMT P51580 1/20 0.43
TTR P02766 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 2/20 0.41

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
SCHEMBL10479339 0.98 PKM (0.49) PKMALDH1A1LMNAKDM4EHPGD
SCHEMBL9793682 0.94 PKM (0.50) PKMALDH1A1LMNAKDM4EHPGD
SCHEMBL27783200 0.88 PKM (0.50) PKMALDH1A1LMNAKDM4EHTT
SCHEMBL10479338 0.88 KDM4E (0.46) ALDH1A1LMNAKDM4EHTTTDP1
SCHEMBL14559830 0.87 PKM (0.55) PKMALDH1A1LMNAKDM4EHPGD
SCHEMBL4854781 0.86 GAA (0.59) ALDH1A1LMNAKDM4EHTTTDP1
SCHEMBL2903458 0.85 PKM (0.58) PKMALDH1A1LMNAKDM4EHPGD
SCHEMBL5095253 0.85 PKM (0.54) PKMALDH1A1KDM4EHPGDTDP1
SCHEMBL9721688 0.84 MAPT (0.55) ALDH1A1LMNATDP1TSHRCYP3A4
SCHEMBL8901567 0.83 PKM (0.51) PKMALDH1A1LMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040565-B2 1H-benzimidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-05-26 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
CN-101066968-B Preparation process of alizapride hydrochloride SHANGHAI BIOSUNDRUG SCIENCE AND TECHNOLOGY CO LTD 2012-11-07 CN disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 WO disclosed
WO-2010034797-A1 1H-BENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
CN-101066968-A Prepn process of alizapride hydrochloride SHANGHAI WENYI BIOMEDICINE SCI (CN) 2007-11-07 CN disclosed
US-5686482-A DOPAMINE RECEPTOR ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-11 US disclosed
EP-0757985-A1 N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-02-12 EP disclosed
US-5026858-A Used for treating nausea, vomating, gastrointestinal disorders and centarl nervous system WALTON S.A. (ES) 1991-06-25 US disclosed
EP-0190524-B1 Industrial synthesis of N-[(1'-allyl-2'-pyrrolidinyl)methyl]-2-methoxy-4,5-azimido benzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1991-03-06 EP disclosed
EP-0190524-A1 Industrial synthesis of N-[(1'-allyl-2'-pyrrolidinyl)methyl]-2-methoxy-4,5-azimido benzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1986-08-13 EP disclosed
US-4039672-A EMESIS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1977-08-02 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 (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-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PKM 2170/4885ALDH1A1 1761/4885LMNA 1740/4885

“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.