SCHEMBL165982

SCHEMBL165982

Cc1cc(OCc2ccccc2)c(C(=O)O)cc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.57
FOLH1 Q04609 1/20 0.56
PTGER1 P34995 2/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
FFAR4 Q5NUL3 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL167317 0.94 MCL1 (0.57) MCL1FOLH1PTGER1RXRARXRB
SCHEMBL12939114 0.92 TDP1 (0.56) MCL1FOLH1RXRARXRBRXRG
SCHEMBL591616 0.90 FOLH1 (0.55) MCL1FOLH1PTGER1RXRARXRB
SCHEMBL16388506 0.89 SMN1; SMN2 (0.51) MCL1FOLH1RXRARXRBRXRG
SCHEMBL167312 0.89 LMNA (0.49) MCL1FOLH1L3MBTL1ALDH1A1POLB
SCHEMBL383569 0.86 FOLH1 (0.60) MCL1FOLH1PTGER1L3MBTL1ALDH1A1
SCHEMBL29660879 0.86 TDP1 (0.56) MCL1FOLH1RXRARXRBRXRG
SCHEMBL166437 0.86 TDP1 (0.56) MCL1FOLH1RXRARXRBRXRG
SCHEMBL16586295 0.85 MCL1 (0.60) MCL1FOLH1PTGER1RXRARXRB
SCHEMBL10089235 0.84 FOLH1 (0.69) MCL1FOLH1PTGER1L3MBTL1ALDH1A1

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 MCL1 2828/4885FOLH1 4156/4885PTGER1 4158/4885

“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.