SCHEMBL16021998

SCHEMBL16021998

CCOC(=O)c1nn(C)c(=O)n(-c2ccccc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 4/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 4/20 0.54
GAA P10253 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ALOX12 P18054 2/20 0.51
TP53 P04637 1/20 0.51
PDE4D Q08499 2/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
CSF1R P07333 1/20 0.50
APP P05067 1/20 0.49
ADORA1 P30542 2/20 0.49
ADORA2A P29274 1/20 0.49
RECQL P46063 1/20 0.49
ALOX15 P16050 1/20 0.48

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
SCHEMBL14970191 0.87 NPC1 (0.55) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL20503069 0.87 KDM4E (0.55) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL20503074 0.87 PDE4D (0.60) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL19377733 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL17429964 0.84 PDE4A (0.55) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL17430371 0.84 HTT (0.43) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL17430272 0.83 NPSR1 (0.56) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL248654 0.81 GSK3A (0.47) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL17430381 0.81 SMN1; SMN2 (0.44) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL20503072 0.79 MAPT (0.52) ALDH1A1KDM4EHSD17B10HPGDMAPT

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-10081608-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2018-09-25 US disclosed
US-20160009693-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-01-14 US disclosed
US-20160009693-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-01-14 US disclosed
WO-2014135654-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2014-09-12 WO 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-10081608-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides DDT, AADAC, DAZAP1 ALDH1A1 144/4885KDM4E 900/4885HSD17B10 230/4885
US-20160009693-A1 HERBICIDAL COMPOUNDS DDT, HAX1, CYP4X1 ALDH1A1 79/4885KDM4E 1632/4885HSD17B10 228/4885

“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.