SCHEMBL1965210

SCHEMBL1965210

CC(O)n1c(=O)c(-c2ccccc2)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ CFTR P13569 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ ADORA1 P30542 2/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44
▸ POLB P06746 1/20 0.43

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
SCHEMBL14006985 0.76 ALDH1A1 (1.00) KDM4EALDH1A1GAAHPGDCFTR
SCHEMBL3588982 0.75 ALDH1A1 (0.56) KDM4EALDH1A1GAAHPGDCFTR
SCHEMBL3587111 0.74 ALDH1A1 (0.61) KDM4EALDH1A1GAAHPGDCFTR
SCHEMBL10538765 0.73 LMNA (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1963901 0.72 CFTR (0.66) KDM4EALDH1A1GAAHPGDCFTR
SCHEMBL13502539 0.72 KDM4E (0.59) KDM4EALDH1A1GAAHPGDCFTR
SCHEMBL928065 0.71 ALDH1A1 (0.48) KDM4EALDH1A1GAAHPGDCFTR
SCHEMBL13502463 0.71 ALDH1A1 (0.55) KDM4EALDH1A1GAAHPGDCFTR
SCHEMBL1963617 0.71 CFTR (0.68) KDM4EALDH1A1GAAHPGDCFTR
SCHEMBL13784141 0.70 KDM4E (0.64) KDM4EALDH1A1GAAHPGDHSD17B10

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 KDM4E 2003/4885ALDH1A1 1058/4885GAA 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 KDM4E 2076/4885ALDH1A1 1311/4885GAA 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.

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