SCHEMBL18136196

SCHEMBL18136196

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc2ccccn12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RECQL P46063 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HTR6 P50406 3/20 0.32
ACSS2 Q9NR19 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL19712047 0.88 S1PR1 (0.33) NPC1RAB9AACSS2KCNH2SMN1; SMN2
SCHEMBL29359764 0.88 S1PR1 (0.33) NPC1RAB9AACSS2KCNH2SMN1; SMN2
SCHEMBL20100093 0.87 KDM4E (0.36) HSD17B10NPC1RAB9ACA12CA9
SCHEMBL31207155 0.87 TRPA1 (0.36) KCNH2
SCHEMBL21805957 0.87 TRPA1 (0.36) KCNH2
SCHEMBL20393708 0.84 PTGS2 (0.40) HSD17B10NPC1RAB9ACA12CA9
SCHEMBL20393874 0.83 LMNA (0.35) NPC1RAB9ACA12CA9ACSS2
SCHEMBL18131796 0.82 NPC1 (0.42) HSD17B10NPC1RAB9AGRIN1GRIN2A
SCHEMBL18131807 0.82 HSD17B10 (0.33) HSD17B10NPC1RAB9ARECQLGRIN1
SCHEMBL20393766 0.82 KDM4E (0.42) HSD17B10NPC1RAB9ACA12CA9

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
EP-3280716-B1 IMIDAZO[1,2-A]PYRIDIN-2-YL DERIVATIVES AS PESTICIDES AND INTERMEDIATES THEREOF BAYER CROPSCIENCE AG (DE) 2020-02-12 EP disclosed
US-10188108-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-29 US disclosed
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 US disclosed
WO-2016162318-A1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS AND INTERMEDIATE PRODUCT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-13 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-10188108-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, CBR3, CYCS HSD17B10 1027/4885NPC1 3180/4885RAB9A 374/4885
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CYCS HSD17B10 1027/4885NPC1 3180/4885RAB9A 374/4885

“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.