SCHEMBL3676424

SCHEMBL3676424

COC(=O)c1ccc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.58
NQO2 P16083 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PLA2G4A P47712 1/20 0.49
LTB4R Q15722 1/20 0.49
GABRP O00591 4/20 0.48
GABRD O14764 4/20 0.48
GABRA1 P14867 4/20 0.48
GABRB1 P18505 4/20 0.48
GABRG2 P18507 4/20 0.48
GABRB3 P28472 4/20 0.48
GABRA5 P31644 4/20 0.48
GABRA3 P34903 4/20 0.48
GABRA2 P47869 4/20 0.48
GABRB2 P47870 4/20 0.48
GABRA4 P48169 4/20 0.48
GABRE P78334 4/20 0.48
GABRA6 Q16445 4/20 0.48
GABRG1 Q8N1C3 4/20 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
SCHEMBL10925186 0.92 GPR84 (0.53) GPR84NQO2MEN1KMT2APLA2G4A
SCHEMBL6719869 0.91 PLA2G4A (0.58) GPR84NQO2MEN1KMT2APLA2G4A
SCHEMBL29660260 0.91 PLA2G4A (0.58) GPR84NQO2MEN1KMT2APLA2G4A
SCHEMBL13767646 0.90 NQO2 (0.49) GPR84NQO2MEN1KMT2APLA2G4A
SCHEMBL29251326 0.90 MEN1 (0.53) GPR84NQO2MEN1KMT2APLA2G4A
SCHEMBL30844114 0.90 MEN1 (0.53) GPR84NQO2MEN1KMT2APLA2G4A
SCHEMBL6716658 0.90 PLA2G4A (0.58) GPR84NQO2MEN1KMT2APLA2G4A
SCHEMBL6716653 0.90 MEN1 (0.50) GPR84NQO2MEN1KMT2APLA2G4A
SCHEMBL30844112 0.89 MEN1 (0.55) GPR84NQO2MEN1KMT2APLA2G4A
SCHEMBL29251786 0.89 MEN1 (0.55) GPR84NQO2MEN1KMT2APLA2G4A

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 21 patents — showing the first 20. 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
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-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
EP-0538000-A1 Indole and indazole carbamates as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-04-21 EP 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 (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-20090191183-A1 SUBSTITUTED INDOLES CYSLTR1, LTB4R, LTB4R2 GPR84 278/4885NQO2 1409/4885MEN1 4000/4885

“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.