SCHEMBL17802499

SCHEMBL17802499

Cc1ccccc1-c1cnc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
NPY5R Q15761 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
AHR P35869 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABL1 P00519 1/20 0.43
ALOX5 P09917 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2A6 P11509 4/20 0.41
CYP2E1 P05181 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL17802451 0.83 NPC1 (0.44) NPC1RAB9AKDM4EHPGDALOX5
SCHEMBL17802446 0.80 NPC1 (0.42) NPC1RAB9AABL1ALOX5CYP3A4
SCHEMBL17802472 0.77 NPC1 (0.52) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL17802478 0.77 RAB9A (0.52) NPC1RAB9AKDM4ESMN1; SMN2ALOX5
SCHEMBL17802497 0.77 NPC1 (0.47) NPC1RAB9ANPY5RKDM4EABL1
SCHEMBL17802441 0.77 NPC1 (0.36) NPC1RAB9AKDM4EHPGDTSHR
SCHEMBL17802505 0.75 CYP1A2 (0.35) NPC1RAB9ASMN1; SMN2ABL1CYP17A1
SCHEMBL17802464 0.75 NPC1 (0.35) NPC1RAB9AKDM4EABL1CYP17A1
SCHEMBL17802461 0.74 CYP1A2 (0.34) NPC1RAB9AABL1CYP17A1CYP3A4
SCHEMBL3752648 0.73 KDM4E (0.61) NPC1RAB9ANPY5RKDM4EHPGD

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 736/4885NPY5R 4256/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 1939/4885RAB9A 736/4885NPY5R 4256/4885

“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.