SCHEMBL9968922

SCHEMBL9968922

CC(C)(C)OC(=O)N(CCO)Cc1cccc(/C(N)=N/O)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
SSTR4 P31391 1/20 0.42
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
SLC7A5 Q01650 1/20 0.39
PTGES O14684 1/20 0.37
F2 P00734 3/20 0.37
PRSS1 P07477 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
RAB9A P51151 1/20 0.35
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
BMP1 P13497 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CYP3A4 P08684 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
SCHEMBL9968923 0.89 HDAC1 (0.43) HDAC1HDAC3HDAC2NCOR2SLC7A5
SCHEMBL408596 0.89 HDAC1 (0.41) HDAC1HDAC3HDAC2NCOR2SLC7A5
SCHEMBL10170383 0.89 HDAC1 (0.41) HDAC1HDAC3HDAC2NCOR2SLC7A5
SCHEMBL408595 0.89 HDAC1 (0.41) HDAC1HDAC3HDAC2NCOR2SLC7A5
SCHEMBL9968915 0.87 HDAC1 (0.39) HDAC1HDAC3HDAC2NCOR2SLC7A5
SCHEMBL19256701 0.85 SLC7A5 (0.43) HDAC1HDAC3HDAC2NCOR2SLC7A5
SCHEMBL11891918 0.85 SLC7A5 (0.43) HDAC1HDAC3HDAC2NCOR2SLC7A5
SCHEMBL2774547 0.82 HDAC3 (0.43) HDAC1HDAC3HDAC2F2PRSS1
SCHEMBL2774550 0.82 HDAC3 (0.43) HDAC1HDAC3HDAC2F2PRSS1
SCHEMBL2810622 0.82 HDAC3 (0.43) HDAC1HDAC3HDAC2F2PRSS1

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 HDAC1 233/4885SSTR4 1923/4885HDAC3 536/4885

“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.