SCHEMBL4708329

SCHEMBL4708329

CCC(CC)C(=O)c1c(-c2ccc(SC)cc2)nn(CC)c(=O)c1Nc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
MAPT P10636 5/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 2/20 0.36
MCHR1 Q99705 1/20 0.35
NPBWR1 P48145 1/20 0.34
POLB P06746 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4706147 0.89 PDE4B (0.54) PDE4BMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL4706106 0.81 PDE4B (0.44) PDE4BMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL4707901 0.80 PDE4B (0.65) PDE4BMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL3036159 0.77 PDE4B (0.56) PDE4BMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL4708734 0.76 SMN1; SMN2 (0.37) PDE4BALDH1A1SMN1; SMN2TP53
SCHEMBL4707373 0.76 PDE4B (0.52) PDE4BMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL6170267 0.75 PDE4B (0.59) PDE4BMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL3036227 0.73 TBXAS1 (0.55) PDE4BMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL4708026 0.72 PDE4B (0.52) PDE4BALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL1654216 0.72 PDE4B (0.60) PDE4BMAPTALDH1A1KDM4EL3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459453-B2 Pyridazin-3(2H)-one derivatives as PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2008-12-02 US claimed
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-03-09 US claimed
US-7459453-B2 Pyridazin-3(2H)-one derivatives as PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2008-12-02 US disclosed
US-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS DAL PIAZ VITTORIO 2008-10-30 US disclosed
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-03-09 US disclosed
EP-1503992-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-02-09 EP disclosed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 WO 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 (2 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-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE3A, PDE4B PDE4B 3/4885MAPT 3692/4885ALDH1A1 525/4885
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B PDE4B 3/4885MAPT 3692/4885ALDH1A1 525/4885

“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.