SCHEMBL2804913

SCHEMBL2804913

CCOC(=O)CCCOc1cccc(/C(N)=N\O)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
CYSLTR2 Q9NS75 2/20 0.50
CYSLTR1 Q9Y271 2/20 0.50
FAAH O00519 1/20 0.47
BRD4 O60885 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
SMPD1 P17405 3/20 0.46
KMT2A Q03164 1/20 0.46
PDK2 Q15119 1/20 0.45
PRSS1 P07477 1/20 0.45

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
SCHEMBL9968921 1.00 TDP1 (0.54) TDP1L3MBTL1CYSLTR2CYSLTR1FAAH
SCHEMBL2771953 1.00 TDP1 (0.54) TDP1L3MBTL1CYSLTR2CYSLTR1FAAH
SCHEMBL204170 0.87 CYSLTR2 (0.54) TDP1L3MBTL1CYSLTR2CYSLTR1FAAH
SCHEMBL202662 0.82 PRSS1 (0.52) CYSLTR2CYSLTR1SMPD1KMT2APDK2
SCHEMBL4666452 0.82 CYSLTR2 (0.54) TDP1L3MBTL1CYSLTR2CYSLTR1FAAH
SCHEMBL4667397 0.81 THRA (0.57) TDP1L3MBTL1CYSLTR2CYSLTR1FAAH
SCHEMBL8279022 0.79 TSHR (0.57) TDP1L3MBTL1CYSLTR2CYSLTR1FAAH
SCHEMBL10054169 0.79 L3MBTL1 (0.62) TDP1L3MBTL1CYSLTR2CYSLTR1FAAH
SCHEMBL2805503 0.79 THRA (0.45) TDP1L3MBTL1BRD4GAARAB9A
SCHEMBL9968920 0.79 THRA (0.45) TDP1L3MBTL1BRD4GAARAB9A

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 2 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-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US 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 TDP1 1894/4885L3MBTL1 3352/4885CYSLTR2 1056/4885

“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.