SCHEMBL1963121

SCHEMBL1963121

Cc1ccc2c(c1)nc(-c1ccccc1)c(=O)n2C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
KDM4E B2RXH2 2/20 0.70
GAA P10253 2/20 0.70
HPGD P15428 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.55
ADORA3 P0DMS8 2/20 0.52
CYP1A2 P05177 6/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ACSS2 Q9NR19 1/20 0.50
NLRP3 Q96P20 1/20 0.50
HSD17B10 Q99714 5/20 0.47
CASP1 P29466 4/20 0.47
CASP7 P55210 4/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 2/20 0.47
TP53 P04637 2/20 0.47

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
SCHEMBL28736665 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL28736745 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL28516529 0.83 KDM4E (0.82) ALDH1A1KDM4EGAAHPGDL3MBTL1
SCHEMBL30139977 0.83 KDM4E (0.82) ALDH1A1KDM4EGAAHPGDL3MBTL1
SCHEMBL14006985 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EGAAHPGDL3MBTL1
SCHEMBL31448449 0.81 KDM4E (0.73) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL28366658 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EGAAHPGDCYP1A2
SCHEMBL28362560 0.80 ALDH1A1 (0.62) ALDH1A1KDM4EGAAHPGDL3MBTL1
SCHEMBL1104834 0.80 NLRP3 (0.65) ALDH1A1KDM4EGAAHPGDL3MBTL1
SCHEMBL14006981 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EGAAHPGDCYP1A2

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 2 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
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 ALDH1A1 1058/4885KDM4E 2003/4885GAA 3625/4885
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 ALDH1A1 1311/4885KDM4E 2076/4885GAA 2112/4885

“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.