SCHEMBL694419

SCHEMBL694419

[c]1ccc(OCc2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.45
KCNH2 Q12809 1/20 0.43
GRIN2B Q13224 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 2/20 0.41
CYP27B1 O15528 1/20 0.41
CYP24A1 Q07973 1/20 0.41
NPC1 O15118 1/20 0.41
APP P05067 1/20 0.41
MAOB P27338 2/20 0.40
ABCB1 P08183 1/20 0.40
EPHX2 P34913 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39

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
SCHEMBL60221 0.92 SMN1; SMN2 (0.46) F2KCNH2GRIN2BSMN1; SMN2HTT
SCHEMBL3163510 0.81 LTA4H (0.58) SMN1; SMN2NPC1
SCHEMBL3169037 0.79 CYP3A4 (0.54) SMN1; SMN2
SCHEMBL4569962 0.79 F2 (0.60) F2KCNH2GRIN2BSMN1; SMN2HTT
SCHEMBL76993 0.79 LMNA (0.61) SMN1; SMN2APPMAOBEPHX2
SCHEMBL22305118 0.79 NOS3 (0.50) F2KCNH2GRIN2BSMN1; SMN2HTT
SCHEMBL921839 0.78 SMN1; SMN2 (0.42) F2KCNH2GRIN2BSMN1; SMN2HTT
SCHEMBL864294 0.78 MAPK1 (0.52) MEN1MAPK1KMT2A
SCHEMBL6544765 0.78 APP (0.60) F2APPMEN1KMT2A
SCHEMBL864106 0.77 GRM5 (0.50) MAOB

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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621278-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-07 EP claimed
US-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
US-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US claimed
US-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
WO-2012047580-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 WO claimed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US claimed
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP claimed
EP-2421847-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP claimed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US claimed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US claimed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP claimed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO claimed
CN-107922432-B Novel hydroxy acid derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-05-04 CN disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP 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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA F2 2368/4885KCNH2 894/4885GRIN2B 2865/4885
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA F2 2368/4885KCNH2 894/4885GRIN2B 2865/4885
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE F2 4370/4885KCNH2 672/4885GRIN2B 3977/4885

“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.