SCHEMBL9968930

SCHEMBL9968930

COCCN(C)Cc1cccc(/C(N)=N/O)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 3/20 0.39
GRM2 Q14416 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
TSHR P16473 2/20 0.38
KDM1A O60341 1/20 0.38
RECQL P46063 1/20 0.38
ACHE P22303 3/20 0.37
NOS1 P29475 1/20 0.37
BMP1 P13497 1/20 0.36
BCHE P06276 1/20 0.36
MAOB P27338 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
TMEM97 Q5BJF2 2/20 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
SCHEMBL9968931 0.85 NOS1 (0.39) SIGMAR1F2PRSS1KDM1ANOS1
SCHEMBL2775497 0.83 HDAC1 (0.45) HDAC6SMN1; SMN2F2PRSS1BMP1
SCHEMBL2803642 0.83 HDAC1 (0.45) HDAC6SMN1; SMN2F2PRSS1BMP1
SCHEMBL2775495 0.83 HDAC1 (0.45) HDAC6SMN1; SMN2F2PRSS1BMP1
SCHEMBL2773041 0.81 KDM4A (0.43) SMN1; SMN2SIGMAR1F2PRSS1BMP1
SCHEMBL2773039 0.81 KDM4A (0.43) SMN1; SMN2SIGMAR1F2PRSS1BMP1
SCHEMBL9968923 0.78 HDAC1 (0.43) HDAC6F2PRSS1BMP1
SCHEMBL407530 0.77 SLC7A5 (0.39) SMN1; SMN2SIGMAR1F2PRSS1ACHE
SCHEMBL407531 0.77 SLC7A5 (0.39) SMN1; SMN2SIGMAR1F2PRSS1ACHE
SCHEMBL9968916 0.77 SLC7A5 (0.39) SMN1; SMN2SIGMAR1F2PRSS1ACHE

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-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US 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 HDAC6 318/4885SMN1; SMN2 1346/4885SIGMAR1 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.