SCHEMBL19366948

SCHEMBL19366948

CCS(=O)(=O)c1cc(-c2cccc(Cl)n2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 8/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ USP1 O94782 1/20 0.32
▸ DDR1 Q08345 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32

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
SCHEMBL19366982 0.88 ALOX5AP (0.40) GRIN2BKCNH2GRIN1NPC1RAB9A
SCHEMBL19366992 0.88 KCNH2 (0.35) GRIN2BKCNH2GRIN1NPC1RAB9A
SCHEMBL19366910 0.88 NPC1 (0.44) KCNH2NPC1RAB9APTGS2PTGS1
SCHEMBL19366952 0.87 CTSS (0.39) GRIN2BKCNH2GRIN1NPC1RAB9A
SCHEMBL19366900 0.87 KCNH2 (0.34) KCNH2PTGS2PTGS1CA12CA9
SCHEMBL17696197 0.87 GRIN2B (0.35) GRIN2BKCNH2GRIN1PTGS2PTGS1
SCHEMBL19366908 0.87 KCNH2 (0.36) KCNH2PTGS2PTGS1USP1DDR1
SCHEMBL17432137 0.87 PTGS2 (0.42) GRIN2BKCNH2GRIN1PTGS2PTGS1
SCHEMBL19366984 0.87 MEN1 (0.40) KCNH2PTGS2PTGS1CA12CA9
SCHEMBL19366979 0.86 DDR1 (0.37) KCNH2NPC1RAB9APTGS2PTGS1

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 GRIN2B 738/4885KCNH2 1460/4885GRIN1 394/4885

“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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