SCHEMBL167694

SCHEMBL167694

Cc1cc(C(=O)O)c(O)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.51
ALDH1A1 P00352 2/20 0.49
CSNK2A1 P68400 1/20 0.48
MCL1 Q07820 4/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 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
SCHEMBL1728791 0.92 ALDH1A1 (0.49) GRM1ALDH1A1CSNK2A1MCL1KDM4E
SCHEMBL4626748 0.85 HSD17B10 (0.45) GRM1ALDH1A1CSNK2A1KDM4EGAA
SCHEMBL29836030 0.83 HTT (0.47) GRM1ALDH1A1MCL1KDM4EHPGD
SCHEMBL168765 0.83 HTT (0.47) GRM1ALDH1A1MCL1KDM4EHPGD
SCHEMBL2796102 0.83 HSD17B10 (0.44) GRM1ALDH1A1KDM4EGAAHPGD
SCHEMBL9478732 0.82 AKR1C4 (0.50) ALDH1A1CSNK2A1KDM4EGAAHPGD
SCHEMBL975877 0.82 ALDH1A1 (0.66) GRM1ALDH1A1CSNK2A1MCL1KDM4E
Hydrochloric Acid SCHEMBL7670687 0.81 HSD17B10 (0.42) GRM1ALDH1A1KDM4EGAAHPGD
SCHEMBL4893830 0.80 GRM1 (0.56) GRM1ALDH1A1CSNK2A1MCL1KDM4E
SCHEMBL17171674 0.80 GRM1 (0.56) GRM1ALDH1A1CSNK2A1MCL1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020152557-A1 POLYMORPH FORM OF A MONOPHOSPHATE HYDRATE SALT OF A KNOWN TETRAHYDROISOQUINOLINE DERIVATIVE PFIZER INC. (US) 2020-07-30 WO disclosed
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 GRM1 2117/4885ALDH1A1 3544/4885CSNK2A1 183/4885

“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.