SCHEMBL12557353

SCHEMBL12557353

COC(=O)NOc1cc(/C(C)=N/OCc2ccc(Cl)cc2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HDAC8 Q9BY41 2/20 0.46
▸ PPARG P37231 2/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMPD1 P17405 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ S1PR1 P21453 5/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ BRD4 O60885 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
SCHEMBL12557370 0.92 S1PR1 (0.48) RAB9ANPC1PPARGPPARALMNA
SCHEMBL12557293 0.92 S1PR1 (0.47) RAB9ANPC1HDAC8PPARGPPARA
SCHEMBL12557348 0.91 NPC1 (0.49) RAB9ANPC1PPARGPPARAS1PR1
SCHEMBL12557307 0.90 RAB9A (0.43) RAB9ANPC1HDAC8PPARGPPARA
SCHEMBL12557352 0.89 NPC1 (0.53) RAB9ANPC1PPARGPPARAMRGPRX4
SCHEMBL12557309 0.87 NPC1 (0.40) RAB9ANPC1PPARGPPARALMNA
SCHEMBL12557360 0.85 NPC1 (0.47) RAB9ANPC1PPARGPPARAMRGPRX4
SCHEMBL12557291 0.85 RAB9A (0.47) RAB9ANPC1PPARGPPARAMRGPRX4
SCHEMBL12557349 0.84 HDAC8 (0.50) RAB9ANPC1HDAC8PPARGPPARA
SCHEMBL12557287 0.82 NPC1 (0.45) RAB9ANPC1PPARGPPARAMRGPRX4

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 RAB9A 4323/4885NPC1 4680/4885HDAC8 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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