SCHEMBL165087

SCHEMBL165087

O=C(O)c1cc(OCc2ccccc2)c(C(=O)OCc2ccccc2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
PTGER1 P34995 2/20 0.54
POLB P06746 3/20 0.52
MCL1 Q07820 1/20 0.51
FOLH1 Q04609 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
CHRM4 P08173 1/20 0.48
CHRM3 P20309 1/20 0.48
CLCN2 P51788 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
MITF O75030 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL23796954 0.90 ALDH1A1 (0.66) ALDH1A1PTGER1POLBMCL1FOLH1
SCHEMBL23809724 0.89 ALDH1A1 (0.62) ALDH1A1POLBFOLH1TDP1L3MBTL1
SCHEMBL24983866 0.86 ALDH1A1 (0.58) ALDH1A1POLBFOLH1TDP1L3MBTL1
SCHEMBL4132618 0.84 ALDH1A1 (0.64) ALDH1A1POLBTDP1L3MBTL1KMT2A
SCHEMBL168977 0.84 ALDH1A1 (0.57) ALDH1A1POLBMCL1FOLH1TDP1
SCHEMBL165429 0.83 POLB (0.52) ALDH1A1PTGER1POLBMCL1TDP1
SCHEMBL383618 0.81 FOLH1 (0.58) ALDH1A1PTGER1POLBMCL1FOLH1
SCHEMBL167413 0.81 HPGD (0.52) ALDH1A1POLBKMT2AMEN1NPC1
SCHEMBL168737 0.81 HSD17B10 (0.53) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL10089235 0.81 FOLH1 (0.69) ALDH1A1PTGER1POLBMCL1FOLH1

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 ALDH1A1 3544/4885PTGER1 4158/4885POLB 1496/4885

“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.