SCHEMBL3671157

SCHEMBL3671157

COC(=O)c1ccc(C(C)c2c[nH]c3ccc(N)cc23)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL8532689 0.92 GPR84 (0.49) GPR84TRPV1MTNR1AMTNR1BMAPT
SCHEMBL6723270 0.90 HTT (0.43) TRPV1MTNR1AMTNR1BTUBB4ATUBB
SCHEMBL8533040 0.88 GPR84 (0.46) GPR84TRPV1MTNR1AMTNR1BMAPT
SCHEMBL8533902 0.88 GPR84 (0.46) GPR84TRPV1MTNR1AMTNR1BMAPT
SCHEMBL8532302 0.87 GPR84 (0.45) GPR84TRPV1MTNR1AMTNR1BMAPT
SCHEMBL8951122 0.86 GPR84 (0.43) GPR84TRPV1MTNR1AMTNR1BTUBB4A
SCHEMBL9372304 0.85 ALDH1A1 (0.42) GPR84TRPV1MTNR1AMTNR1BMAPT
SCHEMBL8951188 0.85 MEN1 (0.38) GPR84TRPV1MTNR1AMTNR1BTUBB4A
SCHEMBL8951152 0.85 GPR84 (0.41) GPR84TRPV1MTNR1AMTNR1BTUBB4A
SCHEMBL8951184 0.84 GPR84 (0.41) GPR84TRPV1MTNR1AMTNR1BTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170825-A2 SUBSTITUTED INDOLES Auspex Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
US-20090191183-A1 SUBSTITUTED INDOLES AUSPEX PHARMACEUTICALS, INC. (US) 2009-07-30 US disclosed
WO-2009018280-A2 SUBSTITUTED INDOLES AUSPEX PHARAMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
US-20040186300-A1 Process for the preparation of zafirlukast FINETECH LABORATORIES LTD. (IL) 2004-09-23 US disclosed
WO-2002046153-A2 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST FINETECH LABORATORIES LTD. (IL) 2002-06-13 WO disclosed
US-5583152-A Use of N-(4-(5-(cyclopentyloxycarbonyl)amino-1-methylindol-3-ylmethyl)-3 -methoxybenzoyl)-2-methyl-benzenesulphonamide, zafirlukast; allergic asthma, inflammatory diseases, endotoxic conditions or traumatic shock ZENECA INC. (US) 1996-12-10 US disclosed
EP-0227241-B1 Medicinal indole and indazole keto sulphone derivatives ZENECA INC (US) 1996-09-11 EP disclosed
EP-0667857-A1 INDOLYLCARBAMATES AS ANTI-INFLAMMATORY AGENTS PFIZER INC. (US) 1995-08-23 EP disclosed
US-5440035-A Leukotriene antagonists; antiallergens, antiinflammatory agents ZENECA INC. (GB) 1995-08-08 US disclosed
US-5391758-A Leukotriene antagonists ZENECA, INC. (US) 1995-02-21 US disclosed
US-5338734-A Leukotriene antagonist properties; antiinflammatory agents ZENECA INC. (US) 1994-08-16 US disclosed
WO-1994010144-A1 INDOLYLCARBAMATES AS ANTI-INFLAMMATORY AGENTS PFIZER INC. (US) 1994-05-11 WO disclosed
US-5280039-A Bicyclic carbamates and methods of treating inflammatory diseases using the same PFIZER INC. (US) 1994-01-18 US disclosed
US-5179112-A Leukotriene antagonist as antiallergens and antiinflammatory agents ICI AMERICAS INC. (US) 1993-01-12 US disclosed
EP-0199543-B1 HETEROCYCLIC AMIDE DERIVATIVES ICI AMERICAS INC. (US) 1991-12-04 EP disclosed
US-5030643-A Antiallergens, antiinflammatory agents ICI AMERICAS INC. (US) 1991-07-09 US disclosed
US-4859692-A Heterocyclic amide derivatives and pharmaceutical use ICI AMERICAS INC. (US) 1989-08-22 US disclosed
US-4837235-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ICI AMERICAS INC. (US) 1989-06-06 US disclosed
EP-0227241-A2 Medicinal indole and indazole keto sulphone derivatives ZENECA INC. (US) 1987-07-01 EP disclosed
EP-0199543-A2 Heterocyclic amide derivatives ICI AMERICAS INC. (US) 1986-10-29 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 (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-20090191183-A1 SUBSTITUTED INDOLES CYSLTR1, LTB4R, LTB4R2 GPR84 278/4885TRPV1 88/4885MTNR1A 49/4885
US-20040186300-A1 Process for the preparation of zafirlukast LTC4S, LTB4R, CMA1 GPR84 2585/4885TRPV1 1319/4885MTNR1A 1330/4885

“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.