SCHEMBL2776989

SCHEMBL2776989

COC(=O)c1ccc(/C(N)=N\O)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 5/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
ATM Q13315 1/20 0.51
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL2776991 1.00 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9968898 1.00 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8401255 0.88 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL406865 0.88 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL406864 0.88 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL2471433 0.84 KDM4E (0.54) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL2471431 0.84 KDM4E (0.54) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL523320 0.82 KDM4E (0.62) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9968902 0.82 GAA (0.60) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL19583275 0.82 HPGD (0.51) KDM4EALDH1A1MAPTHPGDHSD17B10

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-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 EP disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 WO disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 KDM4E 1353/4885ALDH1A1 466/4885MAPT 2478/4885
US-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 KDM4E 815/4885ALDH1A1 516/4885MAPT 3455/4885

“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.