SCHEMBL166264

SCHEMBL166264

O=C(O)c1cc(Br)c(CN2CCOCC2)cc1OCc1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.54
PTGER1 P34995 9/20 0.44
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 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
SCHEMBL165997 0.91 MAPK14 (0.52) MAPK14PTGER1ALDH1A1NPC1RAB9A
SCHEMBL167781 0.88 CCR5 (0.50) MAPK14PTGER1ALDH1A1NPC1RAB9A
SCHEMBL168577 0.82 LRRK2 (0.53) MAPK14
SCHEMBL166183 0.82 CCR5 (0.50) ALDH1A1KDM4ETDP1HTTNPSR1
SCHEMBL164222 0.82 MAPK14 (0.44) MAPK14PTGER1ALDH1A1NPC1RAB9A
SCHEMBL167389 0.79 CCR5 (0.48) MAPK14ALDH1A1NPC1RAB9AKDM4E
SCHEMBL166412 0.78 CCR5 (0.50) ALDH1A1KDM4ETDP1HTTNPSR1
SCHEMBL166797 0.75 CCR5 (0.47) ALDH1A1RAB9AKDM4ETDP1HTT
SCHEMBL1344042 0.74 CYP2A13 (0.61) MAPK14ALDH1A1KDM4ETDP1HTT
SCHEMBL166409 0.73 CYP2A13 (0.47) ALDH1A1KDM4ETDP1HTTNPSR1

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 MAPK14 229/4885PTGER1 4158/4885ALDH1A1 3544/4885

“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.