SCHEMBL535512

SCHEMBL535512

CN(CCC(=O)O)Cc1cccc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.54
MEP1B Q16820 1/20 0.54
SIGMAR1 Q99720 2/20 0.52
TMEM97 Q5BJF2 1/20 0.52
FFAR1 O14842 3/20 0.51
FFAR4 Q5NUL3 1/20 0.51
KDM4A O75164 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
LMNA P02545 1/20 0.46
MAOB P27338 1/20 0.46
PDK1 Q15118 1/20 0.44
NR3C1 P04150 1/20 0.44
ACHE P22303 2/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LTA4H P09960 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 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
SCHEMBL2773568 0.86 MEP1A (0.57) MEP1AMEP1BSIGMAR1TMEM97FFAR1
SCHEMBL2774079 0.82 MEP1A (0.49) MEP1AMEP1BSIGMAR1TMEM97MAOB
SCHEMBL408688 0.82 MEP1A (0.45) MEP1AMEP1BSIGMAR1TMEM97FFAR1
SCHEMBL12505597 0.80 MEP1A (0.56) MEP1AMEP1BFFAR1FFAR4LMNA
SCHEMBL536173 0.80 SIGMAR1 (0.43) SIGMAR1TMEM97KDM4AKDM4CLTA4H
SCHEMBL6510744 0.79 MEP1B (0.56) MEP1AMEP1BFFAR1FFAR4LMNA
SCHEMBL40675 0.78 KDM4A (0.66) SIGMAR1TMEM97KDM4AKDM4CACHE
SCHEMBL10182209 0.78 SIGMAR1 (0.56) SIGMAR1TMEM97FFAR1FFAR4KDM4A
SCHEMBL3491515 0.77 FFAR1 (0.72) FFAR1FFAR4LMNA
SCHEMBL2772582 0.77 TSHR (0.44) MEP1AMEP1BSIGMAR1TMEM97MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP 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 (1 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 MEP1A 2944/4885MEP1B 2388/4885SIGMAR1 2426/4885

“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.