SCHEMBL10170474

SCHEMBL10170474

CN(CC(=O)OC(C)(C)C)Cc1ccc(/C(N)=N/O)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPHX2 P34913 2/20 0.33
LMNA P02545 1/20 0.33
RXRA P19793 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
RECQL P46063 1/20 0.32
ATM Q13315 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
F10 P00742 1/20 0.31
HDAC1 Q13547 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31

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
SCHEMBL409156 1.00 ALDH1A1 (0.34) ALDH1A1KDM4ETDP1EPHX2LMNA
SCHEMBL409157 1.00 ALDH1A1 (0.34) ALDH1A1KDM4ETDP1EPHX2LMNA
SCHEMBL410481 0.87 HDAC6 (0.39) EPHX2RECQLHDAC6MTNR1AMTNR1B
SCHEMBL410482 0.87 HDAC6 (0.39) EPHX2RECQLHDAC6MTNR1AMTNR1B
SCHEMBL10170374 0.87 HDAC6 (0.39) EPHX2RECQLHDAC6MTNR1AMTNR1B
SCHEMBL9968914 0.86 MTNR1A (0.36) ALDH1A1KDM4ERECQLHDAC6SLC6A2
SCHEMBL2772719 0.86 MTNR1A (0.36) ALDH1A1KDM4ERECQLHDAC6SLC6A2
SCHEMBL408557 0.86 F10 (0.34) ALDH1A1KDM4ELMNARECQLSLC6A2
SCHEMBL408556 0.86 F10 (0.34) ALDH1A1KDM4ELMNARECQLSLC6A2
SCHEMBL2772718 0.86 MTNR1A (0.36) ALDH1A1KDM4ERECQLHDAC6SLC6A2

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 11 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-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
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US 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 ALDH1A1 510/4885KDM4E 1908/4885TDP1 1556/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB ALDH1A1 510/4885KDM4E 1908/4885TDP1 1556/4885

“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.