SCHEMBL3103412

SCHEMBL3103412

COC(=O)NOc1cc(C(C)=NOCc2cccc(CF)n2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PPARG P37231 12/20 0.35
▸ PPARA Q07869 11/20 0.35
▸ KDM4E B2RXH2 1/20 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
▸ NR1H4 Q96RI1 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ PPARD Q03181 1/20 0.32
▸ MRGPRX4 Q96LA9 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL3109111 0.88 MRGPRX4 (0.36) NPC1RAB9APPARGPPARAKDM4E
SCHEMBL12343736 0.88 MRGPRX4 (0.36) NPC1RAB9APPARGPPARAKDM4E
SCHEMBL12557352 0.83 NPC1 (0.53) NPC1RAB9APPARGPPARAALDH1A1
SCHEMBL12557348 0.83 NPC1 (0.49) NPC1RAB9APPARGPPARAS1PR1
SCHEMBL12557291 0.83 RAB9A (0.47) NPC1RAB9APPARGPPARAKDM4E
SCHEMBL12557310 0.82 NPC1 (0.40) NPC1RAB9APPARGPPARAKDM4E
SCHEMBL12557360 0.81 NPC1 (0.47) NPC1RAB9APPARGPPARAALDH1A1
SCHEMBL12557287 0.80 NPC1 (0.45) NPC1RAB9APPARGPPARAS1PR1
SCHEMBL12557349 0.80 HDAC8 (0.50) NPC1RAB9APPARGPPARAKDM4E
SCHEMBL12557305 0.80 PPARG (0.41) NPC1RAB9APPARGPPARAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2218711-B1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO (JP) 2014-12-03 — — EP disclosed
US-8268755-B2 Oxime ether derivative and fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2012-09-18 — — US disclosed
US-20100273836-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD. (JP) 2010-10-28 — — US disclosed
EP-2218711-A1 OXIME ETHER DERIVATIVE AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2010-08-18 — — EP 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-20100273836-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CYP51A1, CYP21A2, ERG28 NPC1 4007/4885RAB9A 4236/4885PPARG 2927/4885

“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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