SCHEMBL409494

SCHEMBL409494

CN(CCC(=O)OC(C)(C)C)Cc1cc(C(N)=NO)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
RIPK1 Q13546 1/20 0.33
RECQL P46063 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
F10 P00742 2/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LTA4H P09960 1/20 0.30
HDAC4 P56524 2/20 0.30
HDAC7 Q8WUI4 2/20 0.30
HDAC11 Q96DB2 2/20 0.30
HDAC8 Q9BY41 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC9 Q9UKV0 2/20 0.30
HDAC5 Q9UQL6 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
KDM1A O60341 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
SCHEMBL409493 1.00 MTNR1A (0.34) MTNR1AMTNR1BRIPK1RECQLSLC6A4
SCHEMBL9968917 1.00 MTNR1A (0.34) MTNR1AMTNR1BRIPK1RECQLSLC6A4
SCHEMBL10170398 0.93 HDAC6 (0.37) MTNR1AMTNR1BRIPK1RECQLKDM4E
SCHEMBL409172 0.93 HDAC6 (0.37) MTNR1AMTNR1BRIPK1RECQLKDM4E
SCHEMBL409217 0.93 HDAC6 (0.37) MTNR1AMTNR1BRIPK1RECQLKDM4E
SCHEMBL2772718 0.89 MTNR1A (0.36) MTNR1AMTNR1BRIPK1RECQLSLC6A4
SCHEMBL9968914 0.89 MTNR1A (0.36) MTNR1AMTNR1BRIPK1RECQLSLC6A4
SCHEMBL2772719 0.89 MTNR1A (0.36) MTNR1AMTNR1BRIPK1RECQLSLC6A4
SCHEMBL406274 0.83 ACHE (0.39) MTNR1AMTNR1BF10
SCHEMBL10170396 0.83 ACHE (0.39) MTNR1AMTNR1BF10

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 13 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
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 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-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 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
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US 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 (3 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 MTNR1A 1074/4885MTNR1B 455/4885RIPK1 1838/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB MTNR1A 2734/4885MTNR1B 1718/4885RIPK1 2132/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB MTNR1A 2734/4885MTNR1B 1718/4885RIPK1 2132/4885

“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.