SCHEMBL756774

SCHEMBL756774

O=C(CBr)c1cc(=O)oc2cc(Br)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.46
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ GSK3B P49841 1/20 0.40
▸ MAOB P27338 2/20 0.39
▸ AR P10275 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ GRB2 P62993 1/20 0.38
▸ KMT2A Q03164 3/20 0.38

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
SCHEMBL14101420 0.87 PIM1 (0.45) PIM1CA12CA1CA2CA3
SCHEMBL15843178 0.85 CA12 (0.43) CA12CA1CA2CA3CA4
SCHEMBL757472 0.84 NPC1 (0.49) CA12CA1CA2CA3CA4
SCHEMBL15842633 0.81 CA12 (0.53) CA12CA1CA9MAOAKMT2A
SCHEMBL15842707 0.80 ALDH1A1 (0.47) CA12CA1CA2CA3CA4
SCHEMBL15842587 0.79 MCL1 (0.40) CA12CA1CA2CA3CA4
SCHEMBL15842307 0.77 KDM4E (0.44) CA12CA1CA2CA3CA4
SCHEMBL15842775 0.76 PTPN1 (0.41) PIM1CA12CA1CA9GSK3B
SCHEMBL204238 0.75 GSK3B (0.55) GSK3BMAPT
SCHEMBL3524488 0.74 PIM1 (0.74) PIM1CA12CA1CA9MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869031-B1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK CANADA INC (CA) 2012-08-08 — — 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
US-20100137371-A1 Novel Pharmaceutical Compounds MERCK FROSST CANADA LTD. (CA) 2010-06-03 — — US disclosed
US-20100137371-A1 Novel Pharmaceutical Compounds MERCK FROSST CANADA LTD. (CA) 2010-06-03 — — US disclosed
US-20100137371-A1 Novel Pharmaceutical Compounds MERCK FROSST CANADA LTD. (CA) 2010-06-03 — — US disclosed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 — — US disclosed
US-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 — — US disclosed
EP-1636222-A1 7-[(1,3-THIAZOL-2-YL)THIO]-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 — — EP disclosed
WO-2004108720-A1 7- (1, 3-THIAZOL-2-YL)THIO!-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-12-16 — — WO disclosed
EP-0788497-B1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2001-05-23 — — EP disclosed
EP-0788490-B1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2000-07-05 — — EP disclosed
EP-0788490-A1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1997-08-13 — — EP disclosed
US-5576338-A ANTIALLERGENS, ANTIHISTAMINES, ANTIINFLAMMATORY AGENTS AND CYTOPROTECTIVE AGENTS FOR CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1996-11-19 — — US disclosed
US-5552437-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-09-03 — — US disclosed
US-5527827-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-06-18 — — US disclosed
WO-1996013491-A1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 — — WO disclosed
WO-1996013500-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 — — 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-20100137371-A1 Novel Pharmaceutical Compounds LTC4S, LTA4H, LTB4R2 PIM1 2834/4885CA12 3849/4885CA1 2537/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R PIM1 3582/4885CA12 4503/4885CA1 4262/4885

“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.

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