SCHEMBL19366977

SCHEMBL19366977

CCS(=O)(=O)c1cc(-n2ccc(C(F)(F)F)n2)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ PTGS2 P35354 5/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ IDH2 P48735 1/20 0.32
▸ BCL6 P41182 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ USP1 O94782 2/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ MMP12 P39900 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PRMT6 Q96LA8 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL17553650 0.87 NPC1 (0.33) NPC1MAPTPDE10ASCN9AIDH1
SCHEMBL17494853 0.84 DDR1 (0.38) CNR2
SCHEMBL17949386 0.84 PDE10A (0.35) PDE10AIDH1IDH2BCL6CNR2
SCHEMBL30958307 0.83 CNR2 (0.34) NPC1MAPTCNR2USP1RAB9A
SCHEMBL20547541 0.83 CNR2 (0.34) NPC1MAPTCNR2USP1RAB9A
SCHEMBL30958299 0.83 DDR1 (0.37) NPC1MAPTPTGS2CNR2USP1
SCHEMBL17494868 0.83 DDR1 (0.37) NPC1MAPTPTGS2CNR2USP1
SCHEMBL21925099 0.83 DDR1 (0.40) CNR2
SCHEMBL17824513 0.83 CA12 (0.36) NPC1PTGS2CNR2USP1PTGS1
SCHEMBL23961249 0.81 USP1 (0.43) NPC1MAPTPTGS2CNR2USP1

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
US-9809587-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-11-07 — — US disclosed
US-9809587-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-11-07 — — US disclosed
US-20170267672-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-21 — — US disclosed
US-20170267672-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-21 — — 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-20170267672-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 NPC1 2776/4885MAPT 1017/4885PDE10A 1087/4885

“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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