SCHEMBL18819829

SCHEMBL18819829

CC[S+]([O-])c1cc2ccccc2nc1-c1nc2cc(C(F)(F)F)ccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.40
GSR P00390 2/20 0.36
AGPAT2 O15120 1/20 0.35
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 1/20 0.35
DHFR P00374 3/20 0.35
KDM4E B2RXH2 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 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
SCHEMBL14678192 0.83 AGPAT2 (0.36) CNR2AGPAT2KDM4EHTR3EHTR3B
SCHEMBL9959554 0.83 PDE2A (0.42) CNR2AGPAT2PDE2APDE10AKDM4E
SCHEMBL23507303 0.82 BACE1 (0.37) CNR2AGPAT2PDE2APDE10AKDM4E
SCHEMBL14684635 0.82 HTR2B (0.38) CNR2AGPAT2PDE2APDE10AKDM4E
SCHEMBL29431625 0.82 HTR2B (0.38) CNR2AGPAT2PDE2APDE10AKDM4E
SCHEMBL9914987 0.80 AGPAT2 (0.35) CNR2AGPAT2PDE2APDE10AKDM4E
SCHEMBL18819856 0.79 CNR2 (0.41) CNR2GSRAGPAT2PDE2APDE10A
SCHEMBL15868318 0.79 TYK2 (0.36) CNR2AGPAT2KDM4ECYP3A4GRM2
SCHEMBL18819850 0.78 PDE2A (0.41) CNR2GSRAGPAT2PDE2APDE10A
SCHEMBL14677498 0.78 AGPAT2 (0.33) CNR2AGPAT2KDM4ECYP3A4GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 US disclosed
WO-2017072039-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-05-04 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 (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-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE CNR2 485/4885GSR 110/4885AGPAT2 403/4885

“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.