SCHEMBL6880469

SCHEMBL6880469

O=c1c2c3n(c(=O)cc2[nH]n1-c1ccccc1Cl)CCOC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 20/20 1.00
CYBB P04839 19/20 1.00
NOX5 Q96PH1 19/20 1.00
NOX1 Q9Y5S8 19/20 1.00

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
SCHEMBL1565623 0.79 CYBB (1.00) NOX4CYBBNOX5NOX1
SCHEMBL1460392 0.76 CYBB (1.00) NOX4CYBBNOX5NOX1
SCHEMBL19210793 0.75 CYBB (0.75) NOX4CYBBNOX5NOX1
SCHEMBL1566689 0.75 CYBB (1.00) NOX4CYBBNOX5NOX1
SCHEMBL1566481 0.75 CYBB (1.00) NOX4CYBBNOX5NOX1
SCHEMBL1565877 0.74 CYBB (1.00) NOX4CYBBNOX5NOX1
SCHEMBL2216063 0.73 NOX4 (0.60) NOX4CYBBNOX5NOX1
SCHEMBL1566429 0.72 CYBB (1.00) NOX4CYBBNOX5NOX1
SCHEMBL1303388 0.72 NOX4 (0.65) NOX4CYBBNOX5NOX1
SCHEMBL1302610 0.72 NOX4 (0.81) NOX4CYBBNOX5NOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483271-B1 PYRAZOLINE DIONE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-08-16 EP claimed
EP-2483271-B1 PYRAZOLINE DIONE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-08-16 EP disclosed
EP-2483271-B1 PYRAZOLINE DIONE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-08-16 EP disclosed
US-9394306-B2 Pyrazoline dione derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-07-19 US disclosed
US-9394306-B2 Pyrazoline dione derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-07-19 US disclosed
US-9394306-B2 Pyrazoline dione derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-07-19 US disclosed
US-20120172352-A1 PYRAZOLINE DIONE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2012-07-05 US disclosed
US-20120172352-A1 PYRAZOLINE DIONE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2012-07-05 US disclosed
EP-2305679-A1 Pyrazoline dione derivatives as nadph oxidase inhibitors GenKyoTex SA (CH) 2011-04-06 EP disclosed
WO-2011036651-A1 PYRAZOLINE DIONE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-03-31 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 (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-20120172352-A1 PYRAZOLINE DIONE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB NOX4 4/4885CYBB 3/4885NOX5 2/4885

“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.