SCHEMBL1121470

SCHEMBL1121470

NS(=O)(=O)c1cccc2nc(NC3CCNCC3)oc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.45
HTR6 P50406 10/20 0.44
HTR2B P41595 2/20 0.42
RPS6KA2 Q15349 2/20 0.39
CYP1A2 P05177 3/20 0.38
CLK4 Q9HAZ1 2/20 0.38
NSD2 O96028 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CHEK2 O96017 1/20 0.36

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
SCHEMBL1121284 0.83 ELANE (0.46) ELANEHTR6HTR2BCYP1A2CLK4
SCHEMBL4593453 0.81 ELANE (0.50) ELANERPS6KA2CYP1A2CLK4ALDH1A1
SCHEMBL1121299 0.81 ELANE (0.47) ELANEHTR6RPS6KA2CYP1A2CLK4
Bromide SCHEMBL1121690 0.80 ELANE (0.49) ELANERPS6KA2CYP1A2CLK4ALDH1A1
SCHEMBL3577759 0.77 ELANE (0.49) ELANERPS6KA2CYP1A2CLK4ALDH1A1
SCHEMBL1121543 0.76 ELANE (0.45) ELANEHTR6RPS6KA2CYP1A2CLK4
SCHEMBL1121458 0.76 RPS6KA2 (0.57) ELANEHTR2BRPS6KA2CYP1A2CLK4
SCHEMBL1121774 0.76 CYP1A2 (0.50) ELANERPS6KA2CYP1A2CLK4ALDH1A1
SCHEMBL3453495 0.75 ELANE (0.78) ELANECYP1A2CLK4ALDH1A1CYP2D6
SCHEMBL13543030 0.74 SSTR5 (0.55) HTR6CYP1A2CLK4CA12CA1

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 ELANE 2772/4885HTR6 421/4885HTR2B 239/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R ELANE 2772/4885HTR6 421/4885HTR2B 239/4885

“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.