SCHEMBL167736

SCHEMBL167736

O=C(O)c1cc(CN2CCOCC2)c(Br)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 2/20 0.47
CYP2C9 P11712 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
CTSB P07858 1/20 0.44
HTT P42858 2/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 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
SCHEMBL166409 0.94 CYP2A13 (0.47) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL166166 0.84 HCRTR1 (0.58) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL166412 0.77 CCR5 (0.50) CYP2A13HSD17B10KDM4EMAPTPOLB
SCHEMBL30230077 0.76 L3MBTL1 (0.52) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL4909115 0.76 CYP2A13 (0.55) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
Hydrochloric Acid SCHEMBL6596688 0.75 CYP2A13 (0.54) CYP2A13CYP2C9ALOX15HSD17B10KDM4E
SCHEMBL166183 0.74 CCR5 (0.50) CYP2A13HSD17B10KDM4EMAPTPOLB
SCHEMBL11921364 0.74 HTT (0.55) KDM4EMAPTHTTALDH1A1
SCHEMBL29109456 0.74 LCK (0.52) KDM4EMAPTPOLBHTTKMT2A
Hydrochloric Acid SCHEMBL5058369 0.73 HTT (0.54) KDM4EMAPTPOLBHTTALDH1A1

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 CYP2A13 4636/4885CYP2C9 4240/4885ALOX15 3467/4885

“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.