SCHEMBL3899494

SCHEMBL3899494

CCCOC(=O)CCONC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.45
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
ALDH1A1 P00352 5/20 0.39
GLA P06280 1/20 0.39
TOP2A P11388 2/20 0.38
DNM1 Q05193 1/20 0.38
MAPT P10636 3/20 0.38
BLM P54132 1/20 0.38
HTR2C P28335 1/20 0.37
NAAA Q02083 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34

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
SCHEMBL6203890 0.85 GAA (0.52) DGKAALDH1A1LMNAMGAMGAA
SCHEMBL24006348 0.82 ALDH1A1 (0.48) DGKAADRA2AADRA1AALDH1A1MAPT
SCHEMBL3904305 0.81 NAAA (0.38) DGKAALDH1A1GLANAAALMNA
SCHEMBL20589 0.79 DGKA (0.58) DGKAADRA2AADRA1AALDH1A1GLA
Hydrochloric Acid SCHEMBL29155878 0.79 NAAA (0.36) DGKAALDH1A1GLANAAALMNA
SCHEMBL21618267 0.78 DGKA (0.52) DGKAADRA2AADRA1AALDH1A1GLA
SCHEMBL3904274 0.78
SCHEMBL125157 0.77
SCHEMBL8851180 0.77 DGKA (0.47) DGKAADRA2AADRA1AALDH1A1GLA
SCHEMBL775807 0.76 TSHR (0.62) DGKAADRA2AADRA1AALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521396-B2 Substituted (thioxo)carbonylaminophenyluracils BAYER CROPSCIENCE AG (DE) 2009-04-21 US claimed
US-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles BAYER CROPSCIENCE AG (DE) 2006-04-27 US claimed
EP-1503994-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES Bayer CropScience AG (DE) 2005-02-09 EP claimed
WO-2003093244-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES BAYER CROPSCIENCE AG (DE) 2003-11-13 WO claimed
US-7521396-B2 Substituted (thioxo)carbonylaminophenyluracils BAYER CROPSCIENCE AG (DE) 2009-04-21 US disclosed
US-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles BAYER CROPSCIENCE AG (DE) 2006-04-27 US disclosed
EP-1503994-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES Bayer CropScience AG (DE) 2005-02-09 EP disclosed
WO-2003093244-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES BAYER CROPSCIENCE AG (DE) 2003-11-13 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 (1 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-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles NQO2, TYMP, DPYD DGKA 4467/4885ADRA2A 3007/4885ADRA1A 2587/4885

“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.