SCHEMBL168977

SCHEMBL168977

O=C(O)c1cc(OCc2ccccc2)c(C(=O)OCc2ccccc2)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
FOLH1 Q04609 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 4/20 0.49
HTT P42858 1/20 0.48
TSHR P16473 3/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MCL1 Q07820 2/20 0.45

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 0.93 ALDH1A1 (0.66) ALDH1A1FOLH1L3MBTL1POLBKDM4E
SCHEMBL382869 0.89 ALDH1A1 (0.53) ALDH1A1FOLH1L3MBTL1POLBKDM4E
SCHEMBL31363007 0.89 ALDH1A1 (0.53) ALDH1A1FOLH1L3MBTL1POLBKDM4E
SCHEMBL23809724 0.89 ALDH1A1 (0.62) ALDH1A1FOLH1L3MBTL1POLBKDM4E
SCHEMBL167295 0.86 BRD4 (0.46) ALDH1A1FOLH1L3MBTL1POLBTDP1
SCHEMBL24983866 0.86 ALDH1A1 (0.58) ALDH1A1FOLH1L3MBTL1POLBKDM4E
SCHEMBL16416469 0.86 TSHR (0.61) ALDH1A1FOLH1L3MBTL1POLBKDM4E
SCHEMBL10089235 0.84 FOLH1 (0.69) ALDH1A1FOLH1L3MBTL1POLBKDM4E
SCHEMBL165087 0.84 ALDH1A1 (0.57) ALDH1A1FOLH1L3MBTL1POLBKDM4E
SCHEMBL23796432 0.83 MEN1 (0.56) ALDH1A1FOLH1L3MBTL1POLBKDM4E

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 3544/4885FOLH1 4156/4885L3MBTL1 711/4885

“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.