SCHEMBL1121387

SCHEMBL1121387

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.53
ACLY P53396 1/20 0.47
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
GPR35 Q9HC97 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
NSD2 O96028 1/20 0.41
GAA P10253 1/20 0.41
PLCG1 P19174 1/20 0.41
DNMT1 P26358 1/20 0.41
CASP6 P55212 1/20 0.41
XDH P47989 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1121463 0.83 CA9 (0.57) ERN1ACLYCA12CA1CA2
SCHEMBL29135017 0.81 GPR35 (0.41) ERN1ACLYCA1CA2GPR35
SCHEMBL5011828 0.80 CYP3A4 (0.40) ERN1ACLYTDP1
SCHEMBL4144580 0.80 ERN1 (0.69) ERN1CA12CA1CA2CA9
SCHEMBL10386462 0.77 ACLY (0.51) ERN1ACLYCA12CA1CA2
SCHEMBL12087025 0.77 KMT2A (0.56) ERN1ACLYCA12CA1CA2
SCHEMBL5310099 0.76 S100A4 (0.47) ERN1MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL4293562 0.75 GPR35 (0.65) ERN1CA12CA1CA2CA9
SCHEMBL29858963 0.75 ACLY (0.37) ACLYTDP1
SCHEMBL28543052 0.75 GPR35 (0.65) ERN1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12398097-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2025-08-26 US disclosed
US-20220289673-A1 WDR5-MYC INHIBITORS VANDERBILT UNIVERSITY 2022-09-15 US disclosed
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
EP-0395251-A1 Herbicidal sulfonamides ICI AUSTRALIA LIMITED (AU) 1990-10-31 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 (4 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 ERN1 3843/4885ACLY 1763/4885CA12 3424/4885
US-20220289673-A1 WDR5-MYC INHIBITORS MYC, WDR5, MYCBP ERN1 1068/4885ACLY 3840/4885CA12 4808/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R ERN1 3843/4885ACLY 1763/4885CA12 3424/4885
US-12398097-B2 WDR5-MYC inhibitors MYC, WDR5, MYCBP ERN1 1068/4885ACLY 3840/4885CA12 4808/4885

“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.