SCHEMBL20393844

SCHEMBL20393844

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc(-c2ccc(Cl)cn2)n1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PTGS2 P35354 5/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ DDR1 Q08345 2/20 0.33
▸ PTGS1 P23219 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ ACSS2 Q9NR19 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20393710 0.89 PTGS2 (0.42) PTGS2CA12CA9KCNH2PTGS1
SCHEMBL20379045 0.86 NPC1 (0.38) NPC1RAB9APTGS2CA12CA9
SCHEMBL30194787 0.86 NPC1 (0.38) NPC1RAB9APTGS2CA12CA9
SCHEMBL20393716 0.86 NPC1 (0.52) NPC1RAB9APTGS2CA12CA9
SCHEMBL19366908 0.85 KCNH2 (0.36) PTGS2KCNH2DDR1PTGS1CNR2
SCHEMBL20393627 0.85 NPC1 (0.35) NPC1RAB9APTGS2CA12CA9
SCHEMBL20393624 0.83 KCNH2 (0.31) NPC1RAB9AKCNH2CNR2S1PR1
SCHEMBL21715798 0.83 LMNA (0.37) NPC1RAB9APTGS2KCNH2CNR2
SCHEMBL20393714 0.83 PTGS2 (0.38) PTGS2CA12CA9KCNH2PTGS1
SCHEMBL20393874 0.83 LMNA (0.35) NPC1RAB9ACA12CA9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 892/4885PTGS2 3487/4885
US-20200045976-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 NPC1 3182/4885RAB9A 892/4885PTGS2 3487/4885

“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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