SCHEMBL14656387

SCHEMBL14656387

OCc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.57
▸ HSP90AA1 P07900 1/20 0.56
▸ KMO O15229 1/20 0.47
▸ FFAR1 O14842 1/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ TTR P02766 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LIPG Q9Y5X9 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ HTR2A P28223 3/20 0.42
▸ SLC6A4 P31645 3/20 0.42
▸ IDO1 P14902 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HAO1 Q9UJM8 1/20 0.41

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
SCHEMBL14656127 0.84 SOS1 (0.54) LTA4HHSP90AA1NR1H2NR1H3TTR
SCHEMBL9889466 0.84 LTA4H (0.52) LTA4HNR1H2NR1H3SMN1; SMN2HTR2A
SCHEMBL14661841 0.84 LTA4H (0.52) LTA4HHSP90AA1NR1H2NR1H3TTR
SCHEMBL2347904 0.84 KMO (0.55) LTA4HHSP90AA1KMONR1H2NR1H3
SCHEMBL21820786 0.81 HSP90AA1 (0.71) HSP90AA1KMOHTR2ASLC6A4MEN1
SCHEMBL5342317 0.81 LTA4H (0.81) LTA4HFFAR1TTRMMP2MMP3
SCHEMBL922794 0.81 ST14 (0.64) HSP90AA1KMOFFAR1MMP2MMP9
SCHEMBL29918384 0.80 IDO1 (0.50) LTA4HNR1H2NR1H3IDO1PPARG
SCHEMBL875664 0.80 IDO1 (0.50) LTA4HNR1H2NR1H3IDO1PPARG
SCHEMBL20591074 0.79 LTA4H (0.65) LTA4HTTRMMP2MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103827118-B Bicyclic pyrimidin ketone compound GLAXO GROUP LTD. (GB) 2016-03-09 — — CN disclosed
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 — — US disclosed
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 — — US disclosed
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 — — US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 — — US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 — — US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 — — US disclosed
EP-2736908-A1 BICYCLIC PYRIMIDONE COMPOUNDS Glaxo Group Limited (GB) 2014-06-04 — — EP disclosed
CN-103827118-A Bicyclic pyrimidone compounds GLAXO GROUP LTD 2014-05-28 — — CN disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 — — US disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 — — US disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 — — US disclosed
WO-2013014185-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 — — WO disclosed
WO-2013014185-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 — — 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 (2 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-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS PLA2G7, PLA2G4A, PLA2G1B LTA4H 24/4885HSP90AA1 4399/4885KMO 1232/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 LTA4H 44/4885HSP90AA1 3033/4885KMO 1992/4885

“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.

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