SCHEMBL12557360

SCHEMBL12557360

COC(=O)NOc1cc(/C(C)=N/OCc2cccc(OC)c2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ S1PR1 P21453 3/20 0.44
▸ PPARG P37231 4/20 0.42
▸ PPARA Q07869 4/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ CRHR1 P34998 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ AGXT P21549 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MMP13 P45452 1/20 0.38

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
SCHEMBL12557352 0.91 NPC1 (0.53) NPC1RAB9APPARGPPARAMRGPRX4
SCHEMBL12557370 0.89 S1PR1 (0.48) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL12557348 0.89 NPC1 (0.49) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL12557291 0.88 RAB9A (0.47) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL12557287 0.86 NPC1 (0.45) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL12557353 0.85 RAB9A (0.49) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL12557307 0.83 RAB9A (0.43) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL12557293 0.83 S1PR1 (0.47) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL12557309 0.83 NPC1 (0.40) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL12557310 0.82 NPC1 (0.40) NPC1RAB9AS1PR1PPARGPPARA

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-20110144374-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE NIPPON SODA CO., LTD. (JP) 2011-06-16 — — US disclosed
US-20110144374-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE NIPPON SODA CO., LTD. (JP) 2011-06-16 — — 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-20110144374-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE CBR3, CNPY2, NOX3 NPC1 4680/4885RAB9A 4323/4885S1PR1 1178/4885

“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.

Send feedback