SCHEMBL4416693

SCHEMBL4416693

CC(=O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 13/20 0.60
▸ CYSLTR2 Q9NS75 8/20 0.60
▸ ABCC1 P33527 4/20 0.51
▸ ABCC2 Q92887 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ABCC3 O15438 1/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ ABCC5 O15440 1/20 0.51
▸ SLCO2B1 O94956 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ SLCO1B3 Q9NPD5 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ SLCO1B1 Q9Y6L6 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL4416695 1.00 CYSLTR1 (0.60) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL3228018 0.89 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL13985849 0.89 CYSLTR1 (0.59) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL4961219 0.89 CYSLTR1 (0.58) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL27852179 0.88 CYSLTR1 (0.55) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL690791 0.88 CYSLTR1 (0.58) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL4957634 0.87 CYSLTR1 (0.60) CYSLTR1CYSLTR2ABCC1ABCC2MEN1
SCHEMBL10764142 0.86 CYSLTR2 (0.64) CYSLTR1CYSLTR2MEN1KMT2AKDM4E
SCHEMBL10764144 0.86 CYSLTR2 (0.64) CYSLTR1CYSLTR2MEN1KMT2AKDM4E
SCHEMBL32665692 0.85 CYSLTR1 (0.55) CYSLTR1CYSLTR2ABCC1ABCC2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094665-A2 PREPARATION OF MONTELUKAST AND ITS SALTS Dr. Reddy's Laboratories Ltd. (IN) 2009-09-02 — — EP claimed
WO-2008058118-A2 PREPARATION OF MONTELUKAST AND ITS SALTS DR. REDDY'S LABORTORIES, LTD. (IN) 2008-05-15 — — WO claimed
EP-2736885-B1 QUINOLINE-, QUINOXALINE OR BENZOTHIAZOLE BASED CYSTEINYL LEUKOTRIENE ANTAGONISTS (LTC4) SUN PHARMA ADVANCED RES CO LTD (IN) 2020-03-25 — — EP disclosed
US-9102665-B2 Cysteinyl leukotriene antagonists SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2015-08-11 — — US disclosed
US-20140155596-A1 CYSTEINYL LEUKOTRIENE ANTAGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-06-05 — — US disclosed
EP-2736885-A2 CYSTEINYL LEUKOTRIENE ANTAGONISTS Sun Pharma Advanced Research Company Ltd (IN) 2014-06-04 — — EP disclosed
WO-2013051024-A2 CYSTEINYL LEUKOTRIENE ANTAGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2013-04-11 — — WO disclosed
EP-2094665-A2 PREPARATION OF MONTELUKAST AND ITS SALTS Dr. Reddy's Laboratories Ltd. (IN) 2009-09-02 — — EP disclosed
WO-2008058118-A2 PREPARATION OF MONTELUKAST AND ITS SALTS DR. REDDY'S LABORTORIES, LTD. (IN) 2008-05-15 — — WO disclosed
WO-2008058118-A2 PREPARATION OF MONTELUKAST AND ITS SALTS DR. REDDY'S LABORTORIES, LTD. (IN) 2008-05-15 — — WO disclosed
US-5856322-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1999-01-05 — — US disclosed
EP-0480717-B1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-04-15 — — EP disclosed
US-5565473-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT MERCK FROSST CANADA, INC. (CA) 1996-10-15 — — US disclosed
EP-0399818-B1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC (CA) 1995-08-16 — — EP disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 — — US disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 — — US disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 — — EP disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 — — US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 — — 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 (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-20140155596-A1 CYSTEINYL LEUKOTRIENE ANTAGONISTS LTC4S, CYSLTR2, CYSLTR1 CYSLTR1 3/4885CYSLTR2 2/4885ABCC1 1624/4885

“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.

Send feedback