SCHEMBL165531

SCHEMBL165531

Cn1cc(-c2cc(C(=O)O)c(OCc3ccc(F)cc3)cc2C(=O)N2CCOCC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
AXL P30530 1/20 0.42
MERTK Q12866 1/20 0.42
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTGER1 P34995 1/20 0.41
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL165664 0.92 HSD17B10 (0.49) LRRK2NPC1RAB9ACCNCCDK8
SCHEMBL166133 0.88 LRRK2 (0.44) LRRK2NPC1RAB9ACCNCCDK8
SCHEMBL15204962 0.87 LRRK2 (0.55) LRRK2NPC1RAB9AAXLMERTK
SCHEMBL176062 0.86 LRRK2 (0.54) LRRK2
SCHEMBL176196 0.85 LRRK2 (0.68) LRRK2MET
SCHEMBL165714 0.85 LRRK2 (0.53) LRRK2NPC1RAB9AMAPTKDM4E
SCHEMBL257050 0.83 LRRK2 (0.51) LRRK2HSD17B10PTGER1NMT2NMT1
SCHEMBL169086 0.83 LRRK2 (0.47) LRRK2NPC1RAB9AMERTKMAPT
SCHEMBL175878 0.83 LRRK2 (0.54) LRRK2
SCHEMBL257180 0.82 LRRK2 (0.41) LRRK2NPC1RAB9ACCNCCDK8

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-9365551-B2 2-(benzyloxy) benzamides as LRRK2 kinase inhibitors GLAXO GROUP LIMITED (GB) 2016-06-14 US disclosed
EP-2611772-B1 2-(BENZYLOXY)BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-09-24 EP disclosed
US-20130225584-A1 2-(BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-08-29 US disclosed
EP-2611772-A1 2 - (BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-10 EP disclosed
WO-2012028629-A1 2 - (BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 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-20130225584-A1 2-(BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS LRRK2, PARK7, BRSK2 LRRK2 1/4885NPC1 1569/4885RAB9A 700/4885

“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.