SCHEMBL758382

SCHEMBL758382

Fc1ccc(-c2cc(Cl)nc3cc(CBr)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.47
KCNH2 Q12809 2/20 0.42
GRM6 O15303 1/20 0.42
NR1I2 O75469 1/20 0.42

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
SCHEMBL27771669 0.89 GRM2 (0.49) GRM2KCNH2NR1I2
SCHEMBL759048 0.80 GRM2 (0.69) GRM2
SCHEMBL27792840 0.80 GRM2 (0.41) GRM2KCNH2GRM6NR1I2
SCHEMBL759777 0.78 GRM2 (0.61) GRM2KCNH2NR1I2
SCHEMBL1598958 0.78 GRM2 (0.42) GRM2KCNH2GRM6NR1I2
SCHEMBL14919722 0.78 GRM2 (0.73) GRM2KCNH2GRM6NR1I2
SCHEMBL27978362 0.77 GRM2 (0.45) GRM2KCNH2GRM6NR1I2
SCHEMBL10630879 0.76 GRM2 (0.58) GRM2
SCHEMBL27771671 0.76 GRM2 (0.44) GRM2KCNH2NR1I2
SCHEMBL1599351 0.76 KDM4E (0.40)

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 4 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
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

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 1766/4885KCNH2 1624/4885GRM6 2600/4885

“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.