SCHEMBL3920530

SCHEMBL3920530

Nc1cc(F)c(F)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
MAPK14 Q16539 1/20 0.49
KDM1A O60341 7/20 0.48
MAOB P27338 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APP P05067 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
NPC1 O15118 1/20 0.44
PTGER1 P34995 1/20 0.43
CYP19A1 P11511 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL14259448 0.91 LTA4H (0.47) LTA4HMAPK14KDM1AMAOBMAPT
SCHEMBL13504467 0.91 LTA4H (0.47) LTA4HMAPK14KDM1AMAOBMAPT
SCHEMBL29178713 0.88 LTA4H (0.47) LTA4HMAPK14KDM1AMAOBMAPT
SCHEMBL23048779 0.87 KDM1A (0.48) LTA4HMAPK14KDM1AMAOBMAPT
SCHEMBL7430696 0.86 LTA4H (0.49) LTA4HMAPK14KDM1AMAOBMAPT
SCHEMBL3133767 0.85 LTA4H (0.55) LTA4HMAPK14MAOBMAPTL3MBTL1
SCHEMBL3915787 0.81 APP (0.51) LTA4HMAPK14KDM1AMAOBMAPT
SCHEMBL810075 0.81 LTA4H (0.47) LTA4HMAPK14KDM1AMAOBMAPT
SCHEMBL31501865 0.81 APP (0.51) LTA4HMAPK14KDM1AMAOBMAPT
SCHEMBL8924134 0.81 APP (0.51) LTA4HMAPK14KDM1AMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540323-B2 7-hydroxy-indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-10 US disclosed
US-9428504-B2 7-hydroxy-spiropipiperidine indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
EP-2892898-B1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-05-25 EP disclosed
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-09-17 US disclosed
EP-2892894-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR Bristol-Myers Squibb Company (US) 2015-07-15 EP disclosed
EP-2892898-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR Bristol-Myers Squibb Company (US) 2015-07-15 EP disclosed
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 US disclosed
WO-2014022343-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
WO-2014022349-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 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 (3 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC LTA4H 1254/4885MAPK14 909/4885KDM1A 2063/4885
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY11, P2RY2 LTA4H 435/4885MAPK14 1350/4885KDM1A 2278/4885
US-20150166538-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY2, P2RY11 LTA4H 1005/4885MAPK14 1504/4885KDM1A 3108/4885

“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.