SCHEMBL3676853

SCHEMBL3676853

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.46
GABRD O14764 3/20 0.46
GABRA1 P14867 3/20 0.46
GABRB1 P18505 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
GABRA4 P48169 3/20 0.46
GABRE P78334 3/20 0.46
GABRA6 Q16445 3/20 0.46
GABRG1 Q8N1C3 3/20 0.46
GABRG3 Q99928 3/20 0.46
GABRQ Q9UN88 3/20 0.46
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45

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
SCHEMBL7696230 0.91 TTR (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8532689 0.88 GPR84 (0.49) MEN1KMT2A
SCHEMBL10562875 0.87 HDAC3 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9226278 0.87 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8533040 0.84 GPR84 (0.46) MEN1KMT2A
SCHEMBL8533902 0.84 GPR84 (0.46) MEN1KMT2A
SCHEMBL8951403 0.84 HDAC3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8532302 0.83 GPR84 (0.45) MEN1KMT2A
SCHEMBL3671157 0.83 GPR84 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9372304 0.82 ALDH1A1 (0.42) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186300-A1 Process for the preparation of zafirlukast FINETECH LABORATORIES LTD. (IL) 2004-09-23 US claimed
WO-2002046153-A2 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST FINETECH LABORATORIES LTD. (IL) 2002-06-13 WO claimed
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
US-20090149662-A1 PROCESSES FOR PREPARING ZAFIRLUKAST DR. REDDY'S LABORATORIES LIMITED (IN) 2009-06-11 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
US-20040186300-A1 Process for the preparation of zafirlukast FINETECH LABORATORIES LTD. (IL) 2004-09-23 US disclosed
WO-2002046153-A3 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST FINETECH LAB LTD (IL) 2002-09-06 WO disclosed
WO-2002046153-A2 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST FINETECH LABORATORIES LTD. (IL) 2002-06-13 WO disclosed
WO-2002046153-A2 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST FINETECH LABORATORIES LTD. (IL) 2002-06-13 WO disclosed
US-5179112-A Leukotriene antagonist as antiallergens and antiinflammatory agents ICI AMERICAS INC. (US) 1993-01-12 US disclosed
EP-0490649-A1 A physical form of N-[4-[5-(cyclopentyloxycarbonylamino)-1-methyl-indol-3-ylmethyl]-3-methoxybenzoyl]-2-methylbenzenesulfonamide, a process for its preparation and pharmaceutical compositions containing it ZENECA LIMITED (GB) 1992-06-17 EP disclosed
EP-0490648-A1 Pharmaceutical agents ZENECA LIMITED (GB) 1992-06-17 EP disclosed
US-5096917-A Antiallergens; treatment of asthma, hay fever, genetic disorders CIBA-GEIGY CORPORATION (US) 1992-03-17 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-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 (3 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-20090149662-A1 PROCESSES FOR PREPARING ZAFIRLUKAST SI, FIP1L1, KHK GABRP 1857/4885GABRD 2423/4885GABRA1 2126/4885
US-20090191183-A1 SUBSTITUTED INDOLES CYSLTR1, LTB4R, LTB4R2 GABRP 588/4885GABRD 1213/4885GABRA1 660/4885
US-20040186300-A1 Process for the preparation of zafirlukast LTC4S, LTB4R, CMA1 GABRP 502/4885GABRD 723/4885GABRA1 145/4885

“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.