SCHEMBL1961734

SCHEMBL1961734

OCc1c[c]nn1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.36
P2RX7 Q99572 1/20 0.36
NOTUM Q6P988 1/20 0.36
COMT P21964 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RPA1 P27694 1/20 0.33
PDE5A O76074 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.33
HSD11B1 P28845 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL28016510 0.77 CACNA1H (0.41) ALDH1A1NPSR1
SCHEMBL7005928 0.75 POLB (0.35) ALDH1A1RPA1KDM4EMAPTHPGD
SCHEMBL3488539 0.71 HTT (0.41) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL7901032 0.70 ALDH1A1 (0.46) ALDH1A1L3MBTL1RPA1KDM4EMAPT
SCHEMBL16815749 0.69 POLB (0.52) ALDH1A1L3MBTL1P2RX7NOTUMCOMT
SCHEMBL695811 0.69 NPC1 (0.46) ALDH1A1L3MBTL1RPA1KDM4EMAPT
SCHEMBL13509856 0.68 HSD11B1 (0.58) ALDH1A1HSD11B1
SCHEMBL885559 0.67 PTGS1 (0.40) ALDH1A1NOTUMKDM4EMAPTHPGD
SCHEMBL17361369 0.66 CA1 (0.46) ALDH1A1L3MBTL1P2RX7NOTUMCOMT
SCHEMBL28016453 0.66 ALDH1A1 (0.37) ALDH1A1L3MBTL1MAPTHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 1058/4885L3MBTL1 1038/4885P2RX7 1774/4885
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 1311/4885L3MBTL1 2479/4885P2RX7 800/4885

“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.