SCHEMBL410099

SCHEMBL410099

CN(CC(=O)OC(C)(C)C)Cc1c(F)cc(/C(N)=N\O)cc1F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
NR1D1 P20393 1/20 0.30
KLKB1 P03952 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
SCHEMBL10170481 1.00 RIPK1 (0.34) RIPK1MTNR1AMTNR1BNR1D1KLKB1
SCHEMBL410100 1.00 RIPK1 (0.34) RIPK1MTNR1AMTNR1BNR1D1KLKB1
SCHEMBL410481 0.85 HDAC6 (0.39) RIPK1MTNR1AMTNR1B
SCHEMBL410482 0.85 HDAC6 (0.39) RIPK1MTNR1AMTNR1B
SCHEMBL10170374 0.85 HDAC6 (0.39) RIPK1MTNR1AMTNR1B
SCHEMBL18901459 0.84 RIPK1 (0.33) RIPK1MTNR1AMTNR1B
SCHEMBL9968914 0.84 MTNR1A (0.36) RIPK1MTNR1AMTNR1BNR1D1
SCHEMBL10170366 0.84 NR1D1 (0.33) MTNR1AMTNR1BNR1D1
SCHEMBL2772718 0.84 MTNR1A (0.36) RIPK1MTNR1AMTNR1BNR1D1
SCHEMBL409431 0.84 NR1D1 (0.33) MTNR1AMTNR1BNR1D1

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 RIPK1 2132/4885MTNR1A 2734/4885MTNR1B 1718/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB RIPK1 2132/4885MTNR1A 2734/4885MTNR1B 1718/4885

“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.