SCHEMBL12557276

SCHEMBL12557276

COC(=O)NOc1cc(/C(C)=N/OCc2ccccc2I)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.42
▸ PPARA Q07869 8/20 0.42
▸ HDAC8 Q9BY41 3/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ BRD4 O60885 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
SCHEMBL12557349 0.91 HDAC8 (0.50) PPARGPPARAHDAC8NPC1RAB9A
SCHEMBL12557365 0.89 PPARG (0.42) PPARGPPARAHDAC8NPC1RAB9A
SCHEMBL12557354 0.89 HDAC8 (0.41) PPARGPPARAHDAC8NPC1RAB9A
SCHEMBL12557369 0.88 HDAC8 (0.43) PPARGPPARAHDAC8NPC1RAB9A
SCHEMBL12557289 0.88 POLB (0.42) PPARGPPARAHDAC8NPC1RAB9A
SCHEMBL12557387 0.87 KMT2A (0.41) PPARGPPARAHDAC8NPC1RAB9A
SCHEMBL12557305 0.86 PPARG (0.41) PPARGPPARAHDAC8NPC1RAB9A
SCHEMBL12557371 0.86 MEN1 (0.42) PPARGPPARAHDAC8NPC1RAB9A
SCHEMBL12557364 0.86 PPARG (0.39) PPARGPPARAHDAC8NPC1RAB9A
SCHEMBL12557348 0.85 NPC1 (0.49) PPARGPPARANPC1RAB9AS1PR1

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 PPARG 2729/4885PPARA 2732/4885HDAC8 718/4885

“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.

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