SCHEMBL320798

SCHEMBL320798

CN(Cc1cccc(/C(N)=N\O)c1)C(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.39
PRSS1 P07477 4/20 0.39
SLC7A5 Q01650 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
F10 P00742 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
MEP1B Q16820 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FOLH1 Q04609 1/20 0.36
GAA P10253 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL320799 1.00 F2 (0.39) F2PRSS1SLC7A5MEN1KMT2A
SCHEMBL12505590 0.78 MEN1 (0.54) MEN1KMT2AGAA
SCHEMBL12505591 0.78 MEN1 (0.54) MEN1KMT2AGAA
SCHEMBL12505623 0.78 MEN1 (0.54) MEN1KMT2AGAA
SCHEMBL320483 0.77 FOLH1 (0.48) MEN1KMT2AMEP1BFOLH1
SCHEMBL2771476 0.76 CD274 (0.42) F2PRSS1MEN1KMT2AF10
SCHEMBL2771473 0.76 CD274 (0.42) F2PRSS1MEN1KMT2AF10
SCHEMBL408720 0.75 SLC7A5 (0.42) SLC7A5ALDH1A1L3MBTL1FOLH1
SCHEMBL408721 0.75 SLC7A5 (0.42) SLC7A5ALDH1A1L3MBTL1FOLH1
SCHEMBL2773039 0.74 KDM4A (0.43) F2PRSS1MEN1KMT2AMEP1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 F2 2321/4885PRSS1 4700/4885SLC7A5 2990/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB F2 2321/4885PRSS1 4700/4885SLC7A5 2990/4885

“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.