SCHEMBL4717840

SCHEMBL4717840

O=[N+]([O-])c1cnccc1Nc1cccc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
HTT P42858 2/20 0.59
RAB9A P51151 1/20 0.59
PTGS1 P23219 2/20 0.56
PTGS2 P35354 2/20 0.56
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 1/20 0.54
EPAS1 Q99814 2/20 0.49
ARNT P27540 1/20 0.49
HIPK2 Q9H2X6 1/20 0.47
ERBB2 P04626 1/20 0.47
PTK6 Q13882 1/20 0.47
GSK3B P49841 1/20 0.46
FADS1 O60427 1/20 0.46

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
SCHEMBL9849856 0.84 ALDH1A1 (0.70) ALDH1A1HTTRAB9AGAAL3MBTL1
SCHEMBL16657389 0.83 ALDH1A1 (0.74) ALDH1A1HTTRAB9APTGS1PTGS2
SCHEMBL3952093 0.83 ALDH1A1 (1.00) ALDH1A1HTTRAB9APTGS1PTGS2
SCHEMBL4057290 0.81 L3MBTL1 (0.68) ALDH1A1GAAL3MBTL1MAPTEPAS1
SCHEMBL16036142 0.81 ALDH1A1 (0.80) ALDH1A1HTTRAB9AGAAL3MBTL1
SCHEMBL18741716 0.81 ALDH1A1 (0.69) ALDH1A1HTTRAB9AGAAL3MBTL1
SCHEMBL18741717 0.81 ALDH1A1 (0.69) ALDH1A1HTTRAB9AGAAL3MBTL1
Hydrochloric Acid SCHEMBL9335968 0.80 ALDH1A1 (0.67) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL16657372 0.79 ALDH1A1 (0.82) ALDH1A1HTTRAB9AGAAL3MBTL1
SCHEMBL8886340 0.79 L3MBTL1 (0.61) ALDH1A1GAAL3MBTL1MAPTEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 US disclosed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 US disclosed
EP-1490367-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-29 EP disclosed
WO-2003080610-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 WO 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-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors NR4A3, XDH, MAPK8 ALDH1A1 4524/4885HTT 4843/4885RAB9A 2213/4885

“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.