SCHEMBL6070487

SCHEMBL6070487

COc1ccc(N(Cc2ccc[n+]([O-])c2)c2ccc(-c3nn[nH]n3)cc2)cc1OC1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.40
PDE4B Q07343 4/20 0.38
ALDH1A1 P00352 1/20 0.38
CXCR3 P49682 3/20 0.36
ACLY P53396 1/20 0.36
XDH P47989 3/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
CTSD P07339 2/20 0.33
GAA P10253 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PFKFB4 Q16877 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
SCHEMBL1157767 0.85 PDE4A (0.40) TAS2R14PDE4BALDH1A1CXCR3XDH
SCHEMBL1157932 0.76 PDE4B (0.36) PDE4BALDH1A1PTGDR2PDE4APDE4C
SCHEMBL4206163 0.76 PDE4A (0.38) PDE4BALDH1A1PDE4APDE4CPDE4D
SCHEMBL6071029 0.75 PDE4A (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL1157355 0.74 PDE4A (0.51) TAS2R14PDE4BALDH1A1XDHPTGDR2
SCHEMBL2931327 0.73 PDE4B (0.41) PDE4BALDH1A1XDHPTGDR2PDE4A
SCHEMBL1156850 0.70 PDE4A (0.46) PDE4BALDH1A1PDE4APDE4CPDE4D
SCHEMBL4198462 0.70 PDE4B (0.54) PDE4BALDH1A1PDE4APDE4CPDE4D
SCHEMBL1157495 0.69 PDE4A (0.47) PDE4BALDH1A1PDE4APDE4CPDE4D
SCHEMBL1157468 0.69 PDE4A (0.51) PDE4BALDH1A1PTGDR2PDE4APDE4C

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-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis SCHUMACHER RICHARD A 2006-09-21 US claimed

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-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis PDE4A, PDE4B, PDE3B TAS2R14 850/4885PDE4B 2/4885ALDH1A1 1154/4885

“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.