SCHEMBL409431

SCHEMBL409431

CN(CC(=O)OC(C)(C)C)Cc1cc(F)cc(/C(N)=N\O)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.33
S1PR1 P21453 1/20 0.32
MAP4K4 O95819 1/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10170366 1.00 NR1D1 (0.33) NR1D1S1PR1MAP4K4MTNR1AMTNR1B
SCHEMBL409432 1.00 NR1D1 (0.33) NR1D1S1PR1MAP4K4MTNR1AMTNR1B
SCHEMBL10170361 0.89 MTNR1A (0.30) MTNR1AMTNR1B
SCHEMBL410202 0.89 MTNR1A (0.30) MTNR1AMTNR1B
SCHEMBL410201 0.89 MTNR1A (0.30) MTNR1AMTNR1B
SCHEMBL410184 0.87 KDM4E (0.34) NR1D1S1PR1MTNR1AMTNR1B
SCHEMBL410183 0.87 KDM4E (0.34) NR1D1S1PR1MTNR1AMTNR1B
SCHEMBL10170406 0.87 KDM4E (0.34) NR1D1S1PR1MTNR1AMTNR1B
SCHEMBL410100 0.84 RIPK1 (0.34) NR1D1MTNR1AMTNR1B
SCHEMBL10170481 0.84 RIPK1 (0.34) NR1D1MTNR1AMTNR1B

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
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP 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
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB NR1D1 174/4885S1PR1 448/4885MAP4K4 3904/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB NR1D1 174/4885S1PR1 448/4885MAP4K4 3904/4885

“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.