SCHEMBL20379045

SCHEMBL20379045

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(-c2cccc(Cl)n2)n1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ PTGS2 P35354 5/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ NR1H2 P55055 2/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ ACSS2 Q9NR19 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SDHB P21912 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
SCHEMBL30194787 1.00 NPC1 (0.38) NPC1RAB9ACA12CA9PTGS2
SCHEMBL20393716 0.87 NPC1 (0.52) NPC1RAB9ACA12CA9PTGS2
SCHEMBL20393844 0.86 NPC1 (0.36) NPC1RAB9ACA12CA9PTGS2
SCHEMBL19366948 0.86 GRIN2B (0.37) NPC1RAB9ACA12CA9PTGS2
SCHEMBL20393627 0.84 NPC1 (0.35) NPC1RAB9ACA12CA9PTGS2
SCHEMBL20393710 0.84 PTGS2 (0.42) CA12CA9PTGS2KCNH2PTGS1
SCHEMBL20393708 0.84 PTGS2 (0.40) NPC1RAB9ACA12CA9PTGS2
SCHEMBL20393626 0.83 PTGS2 (0.35) NPC1RAB9APTGS2KCNH2GRIN2B
SCHEMBL20393740 0.83 NPC1 (0.32) NPC1RAB9ACA12CA9GRIN2B
SCHEMBL20393624 0.83 KCNH2 (0.31) NPC1RAB9AKCNH2CNR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110312718-B Heterocyclene derivatives as pest control agents 拜耳公司 2023-02-28 — — CN disclosed
US-11083199-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-08-10 — — US disclosed
US-11083199-B2 Heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2021-08-10 — — US disclosed
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — US disclosed
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 — — US disclosed
EP-3568395-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS Bayer Aktiengesellschaft (DE) 2019-11-20 — — EP disclosed
WO-2018130443-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-07-19 — — WO disclosed
WO-2018130443-A1 HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2018-07-19 — — WO 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 (2 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-11083199-B2 Heterocycle derivatives as pesticides DDT, CBR3, CBR1 NPC1 3182/4885RAB9A 892/4885CA12 3994/4885
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 NPC1 3182/4885RAB9A 892/4885CA12 3994/4885

“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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