SCHEMBL759116

SCHEMBL759116

N#Cc1cc(-c2ccccc2)c2ccc(CC=O)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.51
KDM5B Q9UGL1 2/20 0.37
KDM4A O75164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACACA Q13085 1/20 0.35
GAA P10253 1/20 0.35
SQOR Q9Y6N5 1/20 0.34

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
SCHEMBL758460 0.89 GRM2 (0.50) GRM2KDM4EMAPTMEN1KMT2A
SCHEMBL756852 0.85 GRM2 (0.54) GRM2KDM5BKDM4EMAPTMEN1
SCHEMBL757530 0.84 GRM2 (0.53) GRM2KDM4EMAPTMEN1KMT2A
SCHEMBL759127 0.83 GRM2 (0.58) GRM2KDM4EMAPTMEN1KMT2A
SCHEMBL761465 0.82 GRM2 (0.42) GRM2KDM4EMAPTMEN1KMT2A
SCHEMBL28806160 0.79 ACACA (0.50) GRM2KDM4EMAPTMEN1KMT2A
SCHEMBL14079726 0.78 GRM2 (0.47) GRM2KDM4EMAPTGAASQOR
SCHEMBL14079729 0.77 GRM2 (0.52) GRM2KDM4EMAPTACACAGAA
SCHEMBL756737 0.77 GRM2 (0.50) GRM2KDM4EMAPTMEN1KMT2A
SCHEMBL757908 0.77 ESR1 (0.47) GRM2KDM4EMAPTKMT2ASQOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101657443-B [1,2,3] triazole-substituted quinolines and coumarins as leukotriene biosynthesis inhibitors MERCK FROSST CANADA LTD 2013-10-23 CN disclosed
EP-2118093-B1 [1,2,3]TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK CANADA INC (CA) 2012-03-21 EP disclosed
EP-2118093-B1 [1,2,3]TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK CANADA INC (CA) 2012-03-21 EP disclosed
US-7960409-B2 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK SHARP & DOHME CORP. (US) 2011-06-14 US disclosed
US-7960409-B2 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK SHARP & DOHME CORP. (US) 2011-06-14 US disclosed
US-7960409-B2 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK SHARP & DOHME CORP. (US) 2011-06-14 US disclosed
CN-101657443-A [1,2,3] triazole-substituted quinolines and coumarins as leukotriene biosynthesis inhibitors MERCK FROSST CANADA LTD CA 2010-02-24 CN disclosed
WO-2008095292-A1 [1,2,3] TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2008-08-14 WO disclosed
WO-2008095292-A1 [1,2,3] TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2008-08-14 WO disclosed
US-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK CANADA INC. (CA) 2008-08-07 US disclosed
US-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK CANADA INC. (CA) 2008-08-07 US disclosed
US-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK CANADA INC. (CA) 2008-08-07 US 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-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents ALOX5, ALOX15, ALOX15B GRM2 1766/4885KDM5B 592/4885KDM4A 1278/4885

“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.