SCHEMBL409375

SCHEMBL409375

CC(C)(C)OC(=O)CN(Cc1ccc(/C(N)=N\O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC3 O15379 2/20 0.44
NCOR2 Q9Y618 2/20 0.44
NR1D1 P20393 4/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 2/20 0.35
NR1H3 Q13133 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
F10 P00742 1/20 0.34
NPC1 O15118 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL10170384 1.00 HDAC1 (0.44) HDAC1HDAC2HDAC3NCOR2NR1D1
SCHEMBL409376 1.00 HDAC1 (0.44) HDAC1HDAC2HDAC3NCOR2NR1D1
SCHEMBL9968915 0.86 HDAC1 (0.39) HDAC1HDAC2HDAC3NCOR2RAB9A
SCHEMBL409764 0.85 S1PR1 (0.38) NR1D1RAB9AGAANR1H3MTNR1A
SCHEMBL409765 0.85 S1PR1 (0.38) NR1D1RAB9AGAANR1H3MTNR1A
SCHEMBL10170373 0.85 S1PR1 (0.38) NR1D1RAB9AGAANR1H3MTNR1A
SCHEMBL9100541 0.83 HDAC1 (0.47) HDAC1HDAC2HDAC3NCOR2RAB9A
SCHEMBL9100464 0.83 HDAC1 (0.47) HDAC1HDAC2HDAC3NCOR2RAB9A
SCHEMBL29573114 0.83 GRM2 (0.42) HDAC1HDAC2HDAC3NCOR2RAB9A
SCHEMBL6791575 0.83 GRM2 (0.42) HDAC1HDAC2HDAC3NCOR2RAB9A

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 HDAC1 212/4885HDAC2 209/4885HDAC3 537/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB HDAC1 212/4885HDAC2 209/4885HDAC3 537/4885

“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.