SCHEMBL406779

SCHEMBL406779

CN(CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
TMEM97 Q5BJF2 1/20 0.46
POLB P06746 1/20 0.43
NSD2 O96028 1/20 0.41
HIF1A Q16665 5/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCB1 P08183 1/20 0.39
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
LTA4H P09960 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL409476 0.92 SIGMAR1 (0.47) SIGMAR1TMEM97POLBNSD2HIF1A
SCHEMBL408817 0.84 POLB (0.52) SIGMAR1TMEM97POLBNSD2HIF1A
SCHEMBL4948328 0.80 NSD2 (0.41) SIGMAR1TMEM97POLBNSD2MEN1
SCHEMBL409398 0.80 SIGMAR1 (0.38) SIGMAR1TMEM97BCHEACHEKMT2A
SCHEMBL409399 0.80 SIGMAR1 (0.38) SIGMAR1TMEM97BCHEACHEKMT2A
SCHEMBL10170441 0.80 SIGMAR1 (0.38) SIGMAR1TMEM97BCHEACHEKMT2A
SCHEMBL10978242 0.78 CYP11B1 (0.44) POLBABCB1EPHX2
SCHEMBL408688 0.78 MEP1A (0.45) SIGMAR1TMEM97BCHEACHEABCB1
SCHEMBL7233237 0.76 NSD2 (0.53) SIGMAR1TMEM97POLBNSD2MEN1
SCHEMBL411215 0.75 NSD2 (0.34) SIGMAR1TMEM97NSD2HIF1AABCB1

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-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (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 SIGMAR1 3660/4885TMEM97 2415/4885POLB 1608/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB SIGMAR1 3660/4885TMEM97 2415/4885POLB 1608/4885

“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.