SCHEMBL1961976

SCHEMBL1961976

CC(=O)N(C=O)N1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHKA P35790 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
OPRD1 P41143 1/20 0.31
HPGD P15428 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 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
SCHEMBL28199271 0.74 CA2 (0.38) CA2CA12CA1CA9ALDH1A1
SCHEMBL18878939 0.71 CA2 (0.35) CA2CA12CA1CA9ALDH1A1
SCHEMBL3144424 0.70 HTR2A (0.31) HTR2AHTR2C
SCHEMBL27509096 0.69
SCHEMBL1961974 0.68 CA2 (0.33) CA2CA12CA1CA9CHKA
SCHEMBL6618922 0.68 CHRM5 (0.37) CA2CA12CA1CA9ALDH1A1
SCHEMBL17912781 0.67 CA2 (0.35) CA2CA12CA1CA9CHKA
SCHEMBL5717885 0.66 SIGMAR1 (0.45) ALDH1A1KMT2ASIGMAR1HTR2AHTR2C
SCHEMBL28125871 0.66 HTR2A (0.31) HTR2AHTR2C
SCHEMBL1484414 0.66 CA2 (0.38) CA2CA12CA1CA9ALDH1A1

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 CA2 743/4885CA12 3309/4885CA1 1753/4885
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 CA2 775/4885CA12 4121/4885CA1 1868/4885

“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.