SCHEMBL4035159

SCHEMBL4035159

Nc1ccc(Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.75
MAPT P10636 5/20 0.70
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
LMNA P02545 1/20 0.70
GRIN1 Q05586 2/20 0.66
GRIN2B Q13224 2/20 0.66
PKM P14618 2/20 0.66
KDM4E B2RXH2 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
POLB P06746 4/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 2/20 0.58
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56

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
SCHEMBL7272943 0.87 GAA (0.75) GAAMAPTNPC1RAB9ASMN1; SMN2
Bendazol SCHEMBL29539948 0.86 GAA (1.00) GAAMAPTNPC1RAB9ASMN1; SMN2
Bendazol SCHEMBL309393 0.86 GAA (1.00) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4083522 0.85 RAB9A (0.76) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22356617 0.85 GAA (0.77) GAANPC1RAB9ASMN1; SMN2GRIN1
SCHEMBL29823043 0.85 GAA (0.77) GAANPC1RAB9ASMN1; SMN2GRIN1
Bendazol SCHEMBL15015931 0.84 GAA (0.96) GAAMAPTNPC1RAB9ASMN1; SMN2
Bendazol SCHEMBL27823120 0.84 GAA (0.96) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL483337 0.83 GAA (0.75) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL721860 0.83 GAA (0.75) GAAMAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 EP claimed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US claimed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US claimed
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP claimed
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 EP disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO disclosed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US disclosed
EP-1635821-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
WO-2005030206-A1 ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-04-07 WO disclosed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US disclosed
WO-2004099155-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL) AMIDE DERIVATES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP 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 (5 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA GAA 2704/4885MAPT 3004/4885NPC1 4135/4885
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, LTB4R GAA 3311/4885MAPT 2631/4885NPC1 1549/4885
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L GAA 940/4885MAPT 1728/4885NPC1 1321/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 GAA 4254/4885MAPT 2669/4885NPC1 1417/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA GAA 2704/4885MAPT 3004/4885NPC1 4135/4885

“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.