SCHEMBL5400916

SCHEMBL5400916

Cc1ccccc1C(=O)c1cnc(Nc2ccc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.49
MAPK12 P53778 8/20 0.49
MAPK11 Q15759 8/20 0.49
MAPK14 Q16539 8/20 0.49
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SLC12A2 P55011 1/20 0.44
SLC12A5 Q9H2X9 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5399921 0.92 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5404354 0.91 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5393291 0.89 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5394382 0.89 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL5395181 0.89 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14CA2
SCHEMBL5559339 0.88 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5555188 0.87 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL5388774 0.87 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5554671 0.85 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5560593 0.85 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100422179-C 2-amino-5-benzoylthiazole npy antagonists HOFFMANN LA ROCHE (CH) 2008-10-01 CN claimed
EP-1658288-B1 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-12-05 EP claimed
US-7250431-B2 neuropeptide Y(NPY) receptor antagonists; useful in the treatment of obesity; such as 4-methoxy-N-{4-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-phenyl}-benzenesulfonamide HOFFMANN-LA ROCHE INC. (US) 2007-07-31 US claimed
JP-2007501823-A 2007-02-01 JP claimed
CN-1852907-A 2-amino-5-benzoylthiazole npy antagonists HOFFMANN LA ROCHE (CH) 2006-10-25 CN claimed
EP-1658288-A1 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-24 EP claimed
WO-2005014592-A1 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO claimed
US-20050038089-A1 neuropeptide Y(NPY) receptor antagonists; useful in the treatment of obesity; such as 4-methoxy-N-{4-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-phenyl}-benzenesulfonamide HOFFMAN-LA ROCHE INC. 2005-02-17 US claimed
CN-100422179-C 2-amino-5-benzoylthiazole npy antagonists HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed
EP-1658288-B1 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-12-05 EP disclosed
US-7250431-B2 neuropeptide Y(NPY) receptor antagonists; useful in the treatment of obesity; such as 4-methoxy-N-{4-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-phenyl}-benzenesulfonamide HOFFMANN-LA ROCHE INC. (US) 2007-07-31 US disclosed
CN-1852907-A 2-amino-5-benzoylthiazole npy antagonists HOFFMANN LA ROCHE (CH) 2006-10-25 CN disclosed
EP-1658288-A1 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-24 EP disclosed
WO-2005014592-A1 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
US-20050038089-A1 neuropeptide Y(NPY) receptor antagonists; useful in the treatment of obesity; such as 4-methoxy-N-{4-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-phenyl}-benzenesulfonamide HOFFMAN-LA ROCHE INC. 2005-02-17 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-20050038089-A1 neuropeptide Y(NPY) receptor antagonists; useful in the treatment of obesity; such as 4-methoxy-N-{4-[5-(2-methyl-benzoyl)-thiazol-2-ylamino]-phenyl}-benzenesulfonamide NPY5R, NPY1R, NPY4R MAPK13 1352/4885MAPK12 1899/4885MAPK11 1342/4885

“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.