SCHEMBL2772974

SCHEMBL2772974

COCCNCc1cccc(C#N)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.64
NOS1 P29475 3/20 0.49
HTR2A P28223 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CHRM2 P08172 1/20 0.43
VNN1 O95497 2/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ITK Q08881 1/20 0.42
CD274 Q9NZQ7 2/20 0.42
PDCD1 Q15116 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
DRD4 P21917 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
SCHEMBL410455 0.81 SCN8A (0.57) SCN8ANOS1L3MBTL1CHRM2ITK
SCHEMBL3266433 0.80 SCN8A (0.65) SCN8ANOS1DPP7GLACHRM2
SCHEMBL410123 0.80 SCN8A (0.57) SCN8ANOS1DPP7VNN1KDM1A
SCHEMBL24637978 0.79 GLA (0.55) SCN8ANOS1GLAALDH1A1
SCHEMBL409441 0.79 SCN8A (0.56) SCN8ANOS1DPP7GLAVNN1
SCHEMBL11922712 0.79 SCN8A (0.64) SCN8ANOS1DPP7CHRM2MAOA
SCHEMBL18096479 0.78 SCN8A (1.00) SCN8A
SCHEMBL10272437 0.78 ALDH1A1 (0.56) SCN8AL3MBTL1CHRM2KDM4EALDH1A1
SCHEMBL10874778 0.77 SCN8A (0.61) SCN8ANOS1DPP7CHRM2VNN1
SCHEMBL320058 0.77 LOXL2 (0.59) SCN8ANOS1GLAVNN1KDM1A

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
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
CN-101970420-B Oxadiazole derivatives MERCK SERONO SA 2014-09-24 CN disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
CN-101970420-A Oxadiazole derivatives MERCK SERONO SA 2011-02-09 CN disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP 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 (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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 SCN8A 3723/4885NOS1 661/4885HTR2A 3624/4885

“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.