SCHEMBL17802446

SCHEMBL17802446

CC[S+]([O-])c1ccccc1-c1cnc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALOX5 P09917 1/20 0.36
CYP3A4 P08684 6/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 1/20 0.35
HPGDS O60760 2/20 0.34
CYP2A6 P11509 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CYP2D6 P10635 1/20 0.33
ABL1 P00519 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
MAPT P10636 1/20 0.32
HDAC2 Q92769 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
SCHEMBL17802519 0.84 KDM4E (0.36)
SCHEMBL17802451 0.82 NPC1 (0.44) NPC1RAB9AALOX5CYP3A4CYP2C19
SCHEMBL17802499 0.80 NPC1 (0.49) NPC1RAB9AALOX5CYP3A4CYP2C19
SCHEMBL17802464 0.76 NPC1 (0.35) NPC1RAB9ACYP3A4CYP2C19CYP1A2
SCHEMBL17802461 0.75 CYP1A2 (0.34) NPC1RAB9ACYP3A4CYP2C19CYP1A2
SCHEMBL17802472 0.70 NPC1 (0.52) NPC1RAB9AALOX5CYP3A4CYP2C19
SCHEMBL17802478 0.70 RAB9A (0.52) NPC1RAB9AALOX5CYP3A4CYP2C19
SCHEMBL17802497 0.70 NPC1 (0.47) NPC1RAB9AALOX5CYP2A6ABL1
SCHEMBL17802455 0.69 HSD17B10 (0.43) NPC1RAB9ACYP3A4CYP2C19CYP1A2
SCHEMBL17802441 0.68 NPC1 (0.36) NPC1RAB9ACYP3A4CYP2C19CYP1A2

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 736/4885ALOX5 2444/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 1939/4885RAB9A 736/4885ALOX5 2444/4885

“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.