SCHEMBL3109111

SCHEMBL3109111

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ HSD17B13 Q7Z5P4 3/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ S1PR1 P21453 2/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34

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
SCHEMBL12343736 1.00 MRGPRX4 (0.36) MRGPRX4NPC1RAB9AMAOBADORA2A
SCHEMBL3103412 0.88 NPC1 (0.39) MRGPRX4NPC1RAB9AS1PR1S1PR3
SCHEMBL12557287 0.82 NPC1 (0.45) MRGPRX4NPC1RAB9AMAOBS1PR1
SCHEMBL12557285 0.81 S1PR1 (0.43) NPC1RAB9AMAOBS1PR1S1PR3
SCHEMBL12557272 0.80 PPARG (0.37) MRGPRX4NPC1RAB9AS1PR1S1PR3
SCHEMBL12557299 0.80 S1PR1 (0.39) MRGPRX4NPC1RAB9AS1PR1S1PR3
SCHEMBL12557310 0.80 NPC1 (0.40) NPC1RAB9AS1PR1MAPTKDM4E
SCHEMBL12557352 0.79 NPC1 (0.53) MRGPRX4NPC1RAB9AMAOBALDH1A1
SCHEMBL12557348 0.79 NPC1 (0.49) NPC1RAB9AS1PR1PPARGPPARA
SCHEMBL12557291 0.79 RAB9A (0.47) MRGPRX4NPC1RAB9AMAOBS1PR1

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 MRGPRX4 4063/4885NPC1 4007/4885RAB9A 4236/4885

“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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