SCHEMBL1121463

SCHEMBL1121463

NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.57
CA12 O43570 5/20 0.57
CA2 P00918 5/20 0.57
CA1 P00915 4/20 0.57
ERN1 O75460 1/20 0.53
ACLY P53396 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
NSD2 O96028 1/20 0.45
GAA P10253 1/20 0.45
PLCG1 P19174 1/20 0.45
DNMT1 P26358 1/20 0.45
CASP6 P55212 1/20 0.45
GPR35 Q9HC97 4/20 0.45
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL1121387 0.83 ERN1 (0.53) CA9CA12CA2CA1ERN1
SCHEMBL29135013 0.80 ALDH1A1 (0.47) CA9CA12CA2CA1ERN1
SCHEMBL4144580 0.80 ERN1 (0.69) CA9CA12CA2CA1ERN1
SCHEMBL28543052 0.79 GPR35 (0.65) CA9CA12CA2CA1ERN1
SCHEMBL4167284 0.78 ERN1 (0.62) CA9CA12CA2CA1ERN1
SCHEMBL7737429 0.78 ERN1 (0.62) CA9CA12CA2CA1ERN1
SCHEMBL12087025 0.77 KMT2A (0.56) CA9CA12CA2CA1ERN1
SCHEMBL10386462 0.77 ACLY (0.51) CA9CA12CA2CA1ERN1
SCHEMBL5303668 0.76 S100A4 (0.47) CA9CA12CA2CA1MEN1
SCHEMBL30714119 0.76 S100A4 (0.47) CA9CA12CA2CA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101253171-B Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives HOFFMANN LA ROCHE 2011-06-15 CN disclosed
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US disclosed
CN-101253171-A Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives HOFFMANN LA ROCHE (CH) 2008-08-27 CN disclosed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 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 (2 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-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES SSTR5, NPY5R, NPY1R CA9 1774/4885CA12 3424/4885CA2 1516/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R CA9 1774/4885CA12 3424/4885CA2 1516/4885

“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.