SCHEMBL17802462

SCHEMBL17802462

O=[N+]([O-])c1cnc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.47
CYP2A6 P11509 1/20 0.46
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
BCR P11274 1/20 0.44
SRC P12931 1/20 0.44
PRKCA P17252 1/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA5 P30532 2/20 0.44
CHRNA4 P43681 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
DUSP3 P51452 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL11784834 0.81 RAB9A (0.58) RAB9ANPC1CYP2A6CHRNB2CHRNA5
SCHEMBL17802472 0.80 NPC1 (0.52) RAB9ANPC1CYP2A6MAPTPOLB
SCHEMBL11779105 0.79 RAB9A (0.58) RAB9ANPC1CYP2A6PDE4APDE4C
SCHEMBL17802478 0.78 RAB9A (0.52) RAB9ANPC1CYP2A6MAPTPOLB
SCHEMBL219670 0.74 BCHE (0.55) RAB9ANPC1PDE4APDE4CPDE4D
SCHEMBL17802497 0.72 NPC1 (0.47) RAB9ANPC1CYP2A6ABL1BCR
SCHEMBL17802492 0.72 CYP19A1 (0.52) RAB9ANPC1ABL1BCRSRC
SCHEMBL17802499 0.72 NPC1 (0.49) RAB9ANPC1CYP2A6ABL1CYP19A1
SCHEMBL25384219 0.71 ALDH1A1 (0.56) MAPTALDH1A1
SCHEMBL30354859 0.71 ALDH1A1 (0.56) MAPTALDH1A1

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 5 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
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

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 RAB9A 736/4885NPC1 1939/4885CYP2A6 789/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 RAB9A 736/4885NPC1 1939/4885CYP2A6 789/4885

“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.