SCHEMBL761465

SCHEMBL761465

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
IP6K1 Q92551 1/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.36
ACACA Q13085 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ADRB2 P07550 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4523310 0.87 GRM2 (0.57) GRM2MEN1KMT2AKDM4E
SCHEMBL4526619 0.86 GRM2 (0.43) GRM2MEN1KMT2AKDM4EHPGD
SCHEMBL759116 0.82 GRM2 (0.51) GRM2MEN1KMT2AKDM4EMAPT
SCHEMBL28806160 0.81 ACACA (0.50) GRM2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9159895 0.79 ESR2 (0.47) GRM2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL757908 0.79 ESR1 (0.47) GRM2ALDH1A1KMT2AKDM4EMAPT
SCHEMBL14546441 0.79 ALDH1A1 (0.43) GRM2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL756737 0.79 GRM2 (0.50) GRM2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL756852 0.77 GRM2 (0.54) GRM2MEN1KMT2AKDM4EMAPT
SCHEMBL755998 0.76 GRM2 (0.42) GRM2ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis MERCK FROSST CANADA LTD. (CA) 2009-02-26 US disclosed
US-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis MERCK FROSST CANADA LTD. (CA) 2009-02-26 US disclosed
US-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis MERCK FROSST CANADA LTD. (CA) 2009-02-26 US 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
EP-1934205-A1 SUBSTITUTED QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Merck Frosst Canada Ltd. (CA) 2008-06-25 EP disclosed
WO-2007038865-A1 SUBSTITUTED QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2007-04-12 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-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 1766/4885ALDH1A1 237/4885MEN1 3591/4885
US-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, LTB4R2 GRM2 4204/4885ALDH1A1 446/4885MEN1 2839/4885

“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.