SCHEMBL9968918

SCHEMBL9968918

CS(=O)(=O)c1cccc(/C(N)=N\O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KDM1A O60341 6/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 1/20 0.46
F2 P00734 3/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
BMP1 P13497 1/20 0.42
VNN1 O95497 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL410487 1.00 AURKA (0.48) AURKAAURKBSMN1; SMN2KDM1AALDH1A1
SCHEMBL29478780 1.00 AURKA (0.48) AURKAAURKBSMN1; SMN2KDM1AALDH1A1
SCHEMBL410486 1.00 AURKA (0.48) AURKAAURKBSMN1; SMN2KDM1AALDH1A1
SCHEMBL29478767 0.84 CA2 (0.55) AURKAAURKBKDM1AF2PRSS1
SCHEMBL2773195 0.84 CA2 (0.55) AURKAAURKBKDM1AF2PRSS1
SCHEMBL2773197 0.84 CA2 (0.55) AURKAAURKBKDM1AF2PRSS1
SCHEMBL14972944 0.82 AURKA (0.54) AURKAAURKBKDM1AALDH1A1F2
SCHEMBL29503163 0.80 GAA (0.55) SMN1; SMN2ALDH1A1GAAHSD17B10F2
SCHEMBL1397448 0.80 GAA (0.55) SMN1; SMN2ALDH1A1GAAHSD17B10F2
SCHEMBL29732496 0.79 F2 (0.52) SMN1; SMN2ALDH1A1GAAHSD17B10F2

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
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 AURKA 1023/4885AURKB 630/4885SMN1; SMN2 1346/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB AURKA 2418/4885AURKB 1461/4885SMN1; SMN2 599/4885

“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.