SCHEMBL19601231

SCHEMBL19601231

CCn1c(=O)c(C)c(C)n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.47
ADORA2A P29274 6/20 0.42
ADORA2B P29275 6/20 0.42
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
ALDH1A1 P00352 2/20 0.39
GSK3A P49840 3/20 0.38
GSK3B P49841 3/20 0.38
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
PARG Q86W56 1/20 0.34
HPD P32754 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
SCHEMBL14257142 0.79 LGMN (0.43) LGMNADORA2AADORA2BPDE4APDE4B
SCHEMBL17595098 0.79 LGMN (0.41) LGMNADORA2AADORA2BPDE4APDE4B
SCHEMBL19601230 0.79 LGMN (0.45) LGMNADORA2AADORA2BPDE4APDE4B
SCHEMBL3521573 0.76 TNF (0.35) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL13024384 0.74 ADORA2A (0.41) LGMNADORA2AADORA2BALDH1A1POLB
SCHEMBL10254094 0.74 LGMN (0.33) LGMNADORA2AADORA2BGSK3AGSK3B
SCHEMBL4767319 0.74 ALDH1A1 (0.42) LGMNADORA2AADORA2BPDE4APDE4B
SCHEMBL13839599 0.71 ALDH1A1 (0.47) LGMNADORA2AADORA2BPDE4APDE4B
SCHEMBL12715828 0.71 ALDH1A1 (0.47) LGMNADORA2AADORA2BPDE4APDE4B
SCHEMBL7516771 0.70 ADORA2B (0.37) LGMNADORA2AADORA2BPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327471-A1 Aryl sulphide and aryl sulphoxide derivatives having C-C-attached uracils as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 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 (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-20170327471-A1 Aryl sulphide and aryl sulphoxide derivatives having C-C-attached uracils as pesticides DDT, ARSA, USP21 LGMN 4340/4885ADORA2A 675/4885ADORA2B 462/4885

“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.