SCHEMBL1963019

SCHEMBL1963019

Cc1cc(C(=O)C2C(=O)CCCC2=O)c(C)c2c1S(=O)(=O)CCC2Oc1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.38
NAAA Q02083 1/20 0.30

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
SCHEMBL1963021 0.91 SPR (0.33) SPRNAAA
SCHEMBL988443 0.85 SPR (0.40) SPR
SCHEMBL9004024 0.82 SPR (0.41) SPR
SCHEMBL6772639 0.79 SPR (0.40) SPR
SCHEMBL9004078 0.79 SPR (0.40) SPR
SCHEMBL988446 0.76 SPR (0.34) SPR
SCHEMBL7833058 0.75 ALDH1A1 (0.41) SPR
SCHEMBL7974532 0.74 SPR (0.36) SPR
SCHEMBL8427416 0.71 SPR (0.37) SPR
SCHEMBL9004086 0.70 SPR (0.37) SPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2011-06-16 US disclosed
EP-1746880-A1 QUINOXALIN-2-ONE DERIVATIVES CROP PROTECTION AGENTS COMPRISING THE SAME AND METHOD FOR PRODUCTION AND USE THEROF Bayer CropScience GmbH (DE) 2007-01-31 EP disclosed
WO-2005112630-A1 QUINOXALIN-2-ONE DERIVATIVES CROP PROTECTION AGENTS COMPRISING THE SAME AND METHOD FOR PRODUCTION AND USE THEROF BAYER CROPSCIENCE GMBH (DE) 2005-12-01 WO disclosed
US-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use BAYER CROPSCIENCE GMBH (DE) 2005-11-17 US 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-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use QSOX1, CYC1, CBR3 SPR 1125/4885NAAA 1656/4885
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE QSOX1, PRDX2, NQO2 SPR 1217/4885NAAA 1461/4885

“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.