SCHEMBL9968919

SCHEMBL9968919

CC(C)(C)OC(=O)COCCc1cccc(/C(N)=N/O)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
RAB9A P51151 1/20 0.39
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
BMP1 P13497 1/20 0.36
KDM1A O60341 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
KMT2A Q03164 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL10246744 0.88 SLC7A5 (0.42) SLC7A5L3MBTL1TDP1RAB9ABMP1
SCHEMBL3420016 0.85 L3MBTL1 (0.50) SLC7A5L3MBTL1TDP1RAB9ACYP4F2
SCHEMBL2776077 0.83 L3MBTL1 (0.41) L3MBTL1TDP1RAB9ACYP4F2CYP4A11
SCHEMBL2776081 0.83 L3MBTL1 (0.41) L3MBTL1TDP1RAB9ACYP4F2CYP4A11
SCHEMBL406657 0.81 SLC7A5 (0.40) SLC7A5L3MBTL1TDP1RAB9AKDM1A
SCHEMBL10246740 0.81 SLC7A5 (0.40) SLC7A5L3MBTL1TDP1RAB9AKDM1A
SCHEMBL406656 0.81 SLC7A5 (0.40) SLC7A5L3MBTL1TDP1RAB9AKDM1A
SCHEMBL2184610 0.78 CTSB (0.42)
SCHEMBL9968906 0.77 SLC7A5 (0.40) SLC7A5L3MBTL1TDP1RAB9AF2
SCHEMBL14101267 0.77 TDP1 (0.46) L3MBTL1TDP1

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 SLC7A5 4631/4885L3MBTL1 3352/4885TDP1 1894/4885

“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.