SCHEMBL4944690

SCHEMBL4944690

COc1ccc(C2=NN(c3ccc(C(=O)O)cc3)C(=O)C(C)(C)C2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.53
PDE4B Q07343 11/20 0.52
PDE4A P27815 7/20 0.52
PDE4C Q08493 7/20 0.52
PDE4D Q08499 7/20 0.52
ATM Q13315 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PTGS2 P35354 1/20 0.46
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL4943052 0.89 PDE4B (0.53) PDE5APDE4BPDE4APDE4CPDE4D
SCHEMBL4945670 0.89 PDE4B (0.51) PDE5APDE4BPDE4APDE4CPDE4D
SCHEMBL4937419 0.88 PDE4B (0.53) PDE5APDE4BPDE4APDE4CPDE4D
SCHEMBL4940552 0.87 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPTGS2
SCHEMBL4937607 0.84 MAPT (0.54) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4937823 0.84 PDE4B (0.47) PDE5APDE4BPDE4APDE4CPDE4D
SCHEMBL3773928 0.83 PDE4B (0.61) PDE5APDE4BPDE4APDE4CPDE4D
SCHEMBL4942500 0.83 MAPT (0.48) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4944537 0.81 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DALDH1A1
Hydrochloric Acid SCHEMBL4937621 0.81 GAA (0.49) ALDH1A1

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-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors ALTANA PHARMA AG (DE) 2008-09-18 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-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors PDE4A, PDE4B, PDE5A PDE5A 3/4885PDE4B 2/4885PDE4A 1/4885

“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.