SCHEMBL18819792

SCHEMBL18819792

CCS(=O)(=O)c1cc2ccccc2nc1-c1nc2cc3c(cc2n1C)OC(F)(F)O3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 6/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
MEN1 O00255 1/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL31141495 0.83 RORC (0.32) RORCRPS6KB1GSK3BCA1CA2
SCHEMBL18498889 0.83 RORC (0.32) RORCRPS6KB1GSK3BCA1CA2
SCHEMBL18498696 0.83 RORC (0.32) RORC
SCHEMBL31694514 0.80 PDE10A (0.31) NPC1RAB9ARORCPDE10A
SCHEMBL18506151 0.78 RORC (0.36) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL25312127 0.78 RORC (0.31) RORC
SCHEMBL18136198 0.78 HTR6 (0.32) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL23493172 0.78 RORC (0.37) RORCCNR2
SCHEMBL18819850 0.78 PDE2A (0.41) NPC1RAB9AACSS2NPSR1RORC
SCHEMBL18819690 0.77 CSNK1E (0.39)

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-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 US disclosed
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 US disclosed
US-20180305353-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-25 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 (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-20180305353-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE KDM4E 2849/4885ALDH1A1 468/4885NPC1 2996/4885
US-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE KDM4E 2849/4885ALDH1A1 468/4885NPC1 2996/4885

“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.