SCHEMBL168000

SCHEMBL168000

O=C(O)c1cc(Cl)c(C(=O)N2CCOCC2)cc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 4/20 0.55
CNR1 P21554 1/20 0.52
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 2/20 0.50
NMT2 O60551 1/20 0.48
NMT1 P30419 1/20 0.48
NPSR1 Q6W5P4 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
APP P05067 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL168737 0.90 HSD17B10 (0.53) HTTHSD17B10ALDH1A1CNR1KDM4E
SCHEMBL167115 0.87 HPGD (0.54) HSD17B10ALDH1A1HPGDLMNATSHR
SCHEMBL257054 0.84 LRRK2 (0.58) HTTHSD17B10ALDH1A1KDM4EMAPT
SCHEMBL1647854 0.82 HSD17B10 (0.72) HTTHSD17B10ALDH1A1KDM4EMAPT
SCHEMBL257053 0.81 LRRK2 (0.68)
SCHEMBL257195 0.81 LRRK2 (0.61)
SCHEMBL167917 0.81 FOLH1 (0.41) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL4473338 0.81 HSD17B10 (0.61) HTTHSD17B10ALDH1A1CNR1KDM4E
SCHEMBL168475 0.80 HSD17B10 (0.53) HTTHSD17B10ALDH1A1CNR1KDM4E
SCHEMBL165664 0.78 HSD17B10 (0.49) HTTHSD17B10ALDH1A1KDM4EMAPT

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 HTT 379/4885HSD17B10 2900/4885ALDH1A1 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.