SCHEMBL6070137

SCHEMBL6070137

COc1ccc(N(Cc2ccc[n+]([O-])c2)c2cccc(C(=O)O)c2)cc1OCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.42
PDE4A P27815 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
LTC4S Q16873 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.39
RXRA P19793 1/20 0.39
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL6070878 0.93 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DRXRA
SCHEMBL1157892 0.83 LTC4S (0.46) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL3120806 0.82 LTC4S (0.47) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL4194654 0.80 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL3218504 0.79 LTC4S (0.46) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL3203176 0.79 LTC4S (0.46) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL6069941 0.78 PDE4A (0.46) PDE4BPDE4APDE4CPDE4DMRGPRX4
SCHEMBL1157397 0.76 RXRA (0.47) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL3133772 0.75 PDE4D (0.46) PDE4BPDE4APDE4CPDE4DLTC4S
SCHEMBL4196225 0.75 LTC4S (0.45) PDE4BPDE4APDE4CPDE4DLTC4S

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 PDE4B 2/4885PDE4A 1/4885PDE4C 7/4885

“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.