SCHEMBL7529626

SCHEMBL7529626

CC(C)(C(=O)NCI)c1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 2/20 0.50
MAPK8 P45983 1/20 0.48
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5358464 0.93 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5358412 0.92 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5362091 0.90 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5370943 0.90 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5361988 0.89 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5362615 0.89 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5362716 0.88 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5354967 0.85 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5370946 0.84 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7367596 0.83 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DTSHR

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-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. 2002-08-15 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-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, NOX1, NOX4 PDE4A 4/4885PDE4B 5/4885PDE4C 9/4885

“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.