SCHEMBL407531

SCHEMBL407531

CN(CCC(=O)OC(C)(C)C)Cc1cccc(C(N)=NO)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
F2 P00734 5/20 0.37
PRSS1 P07477 4/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BMP1 P13497 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
F10 P00742 1/20 0.34
MEP1B Q16820 1/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL9968916 1.00 SLC7A5 (0.39) SLC7A5L3MBTL1TDP1RAB9ASMN1; SMN2
SCHEMBL407530 1.00 SLC7A5 (0.39) SLC7A5L3MBTL1TDP1RAB9ASMN1; SMN2
SCHEMBL9968906 0.89 SLC7A5 (0.40) SLC7A5L3MBTL1TDP1RAB9AF2
SCHEMBL410764 0.87 SLC7A5 (0.38) SLC7A5L3MBTL1TDP1RAB9AF2
SCHEMBL408595 0.87 HDAC1 (0.41) SLC7A5L3MBTL1TDP1RAB9AF2
SCHEMBL10170383 0.87 HDAC1 (0.41) SLC7A5L3MBTL1TDP1RAB9AF2
SCHEMBL408596 0.87 HDAC1 (0.41) SLC7A5L3MBTL1TDP1RAB9AF2
SCHEMBL10170385 0.87 SLC7A5 (0.38) SLC7A5L3MBTL1TDP1RAB9AF2
SCHEMBL410763 0.87 SLC7A5 (0.38) SLC7A5L3MBTL1TDP1RAB9AF2
SCHEMBL406274 0.86 ACHE (0.39) RAB9ASMN1; SMN2BCHEACHEBMP1

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 SLC7A5 4631/4885L3MBTL1 3352/4885TDP1 1894/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB SLC7A5 2990/4885L3MBTL1 4637/4885TDP1 1556/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB SLC7A5 2990/4885L3MBTL1 4637/4885TDP1 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.