SCHEMBL167731

SCHEMBL167731

O=C(OCc1ccc(F)cc1)c1cc(Br)c(C(=O)N2CCOCC2)cc1OCc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
PARP1 P09874 1/20 0.43
FKBP1A P62942 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL168475 0.90 HSD17B10 (0.53) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL167389 0.83 CCR5 (0.48) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL167883 0.79 HPGD (0.55) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL166133 0.79 LRRK2 (0.44) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL168737 0.78 HSD17B10 (0.53) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL166546 0.77 HSD17B10 (0.50) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL165606 0.76 FFAR4 (0.48) MAPTKDM4EALDH1A1LMNATSHR
SCHEMBL1647477 0.75 HSD17B10 (0.60) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL1646758 0.75 HSD17B10 (0.57) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL15205552 0.74 HPGD (0.47) NPC1RAB9AKMT2AMEN1MAPT

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 NPC1 1569/4885RAB9A 700/4885KMT2A 609/4885

“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.