SCHEMBL5958028

SCHEMBL5958028

CCC/C(=N/OC)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
CA2 P00918 1/20 0.35
DRD4 P21917 8/20 0.34
DRD2 P14416 4/20 0.34
KDM4E B2RXH2 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL5958031 1.00 GSK3B (0.42) GSK3BCA2DRD4DRD2KDM4E
SCHEMBL5182897 0.85 GSK3B (0.44) GSK3BALDH1A1GAAKMT2AMEN1
SCHEMBL5182890 0.85 GSK3B (0.44) GSK3BALDH1A1GAAKMT2AMEN1
SCHEMBL5461219 0.81 ATM (0.48) GSK3BDRD4DRD2KDM4EALDH1A1
SCHEMBL5461220 0.81 ATM (0.48) GSK3BDRD4DRD2KDM4EALDH1A1
SCHEMBL5957900 0.77 SMN1; SMN2 (0.41) DRD4KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL5957901 0.77 SMN1; SMN2 (0.41) DRD4KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL5463441 0.76 GSK3B (0.44) GSK3BCA2DRD4DRD2KDM4E
SCHEMBL16202068 0.76 DRD4 (0.49) GSK3BCA2DRD4DRD2KDM4E
SCHEMBL5463436 0.76 GSK3B (0.44) GSK3BCA2DRD4DRD2KDM4E

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-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 EP 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-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 GSK3B 4300/4885CA2 1660/4885DRD4 1385/4885

“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.