SCHEMBL168177

SCHEMBL168177

O=Cc1cc(OCc2ccccc2)c(C(=O)OCc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL31335801 0.87 MRGPRX4 (0.50) MRGPRX4RXRARXRBRXRGALDH1A1
SCHEMBL16586238 0.87 MRGPRX4 (0.50) MRGPRX4RXRARXRBRXRGALDH1A1
SCHEMBL168958 0.84 ALDH1A1 (0.54) MRGPRX4RXRARXRBRXRGALDH1A1
SCHEMBL167521 0.82 ALDH1A1 (0.48) ALDH1A1POLBTDP1HTTL3MBTL1
SCHEMBL165429 0.82 POLB (0.52) RXRARXRBALDH1A1POLBTDP1
SCHEMBL24983701 0.80 RXRA (0.51) MRGPRX4RXRARXRBRXRGALDH1A1
SCHEMBL30141159 0.80 RXRA (0.51) MRGPRX4RXRARXRBRXRGALDH1A1
SCHEMBL23809724 0.79 ALDH1A1 (0.62) ALDH1A1POLBTDP1HTTL3MBTL1
SCHEMBL23796966 0.77 MEN1 (0.54) HTTTSHRKMT2AKDM4E
SCHEMBL24983866 0.77 ALDH1A1 (0.58) ALDH1A1POLBTDP1HTTL3MBTL1

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 MRGPRX4 4551/4885RXRA 4752/4885RXRB 4700/4885

“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.