SCHEMBL17801309

SCHEMBL17801309

O=C(O)c1cc2sc(-c3cccnc3)nc2cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMO O15229 2/20 0.52
KDM4E B2RXH2 5/20 0.49
LMNA P02545 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX5 P09917 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 1/20 0.45
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
ALDH1A1 P00352 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CG P48736 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 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
SCHEMBL17801295 0.85 DYRK1A (0.54) NPC1RAB9AKDM4ELMNANFKB1
SCHEMBL17801688 0.82 KDM4E (0.74) NPC1RAB9AKMOKDM4ELMNA
SCHEMBL17801310 0.81 NPC1 (0.51) NPC1RAB9AKMOKDM4ELMNA
SCHEMBL20519387 0.81 NPC1 (0.51) NPC1RAB9AKDM4ELMNANFKB1
SCHEMBL17801340 0.80 NPC1 (0.61) NPC1RAB9AKDM4ELMNANFKB1
SCHEMBL26962452 0.79 NPC1 (0.61) NPC1RAB9AKMOKDM4ELMNA
SCHEMBL17801198 0.79 RAB9A (0.60) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL17801257 0.79 NPC1 (0.60) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL17801297 0.78 CYP1A2 (0.52) NPC1RAB9AKMOKDM4ELMNA
SCHEMBL17801360 0.77 NPC1 (0.58) NPC1RAB9AKDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 US disclosed
EP-3227301-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087417-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 (1 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-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 2214/4885RAB9A 524/4885KMO 640/4885

“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.