SCHEMBL17802451

SCHEMBL17802451

CCSc1ccccc1-c1cnc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CLK1 P49759 1/20 0.40
ATM Q13315 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP3A4 P08684 3/20 0.36
HPGDS O60760 2/20 0.36
BCHE P06276 1/20 0.36
HTT P42858 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ATR Q13535 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL17802499 0.83 NPC1 (0.49) NPC1RAB9ALMNAKDM4EHPGD
SCHEMBL17802446 0.82 NPC1 (0.42) NPC1RAB9ALMNAALOX5CYP3A4
SCHEMBL15426451 0.77 MAPT (0.38) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL17802441 0.76 NPC1 (0.36) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL17802505 0.75 CYP1A2 (0.35) NPC1RAB9ALMNAALDH1A1CYP3A4
SCHEMBL17802497 0.75 NPC1 (0.47) NPC1RAB9AKDM4EALDH1A1ATM
SCHEMBL15412820 0.73 ALOX5AP (0.37) NPC1LMNAKDM4EALDH1A1HPGD
SCHEMBL17802478 0.72 RAB9A (0.52) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL17802472 0.72 NPC1 (0.52) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL17802455 0.71 HSD17B10 (0.43) NPC1RAB9ALMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138254-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-27 US disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
EP-3227302-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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-10138254-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 NPC1 1939/4885RAB9A 736/4885LMNA 846/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 1939/4885RAB9A 736/4885LMNA 846/4885

“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.