SCHEMBL9901124

SCHEMBL9901124

COc1ccc(CCOc2nc(OCc3ccccc3)ncc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
BCHE P06276 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 6/20 0.43
ALDH1A1 P00352 6/20 0.43
CYP3A4 P08684 6/20 0.43
USP2 O75604 3/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 5/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2D6 P10635 3/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 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
SCHEMBL9900964 0.89 ALDH1A1 (0.43) CYP1A2ALDH1A1CYP3A4USP2TSHR
SCHEMBL9901300 0.89 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1CYP1A2ALDH1A1
SCHEMBL9900791 0.86 ALDH1A1 (0.41) CYP1A2ALDH1A1CYP3A4USP2TSHR
SCHEMBL9904669 0.84 CYP11B1 (0.43) MEN1KMT2ACYP1A2ALDH1A1CYP3A4
SCHEMBL9904719 0.83 FFAR1 (0.42) MEN1KMT2ACYP1A2ALDH1A1CYP3A4
SCHEMBL11604390 0.81 PIN1 (0.47) MEN1KMT2AL3MBTL1CYP1A2ALDH1A1
SCHEMBL9904793 0.80 LIPE (0.51) CYP3A4CYP2C19MAPK1LMNAHTT
SCHEMBL9901038 0.80 ALDH1A1 (0.36) CYP1A2ALDH1A1CYP3A4USP2TSHR
SCHEMBL9923434 0.79 SCN9A (0.39) MEN1KMT2ACYP1A2ALDH1A1CYP3A4
SCHEMBL9904977 0.78 PLA2G7 (0.46) CYP1A2ALDH1A1CYP3A4TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
EP-2649050-A1 COMPOUNDS Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 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-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B ABCB1 2058/4885BCHE 735/4885MEN1 2692/4885

“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.