SCHEMBL4708364

SCHEMBL4708364

CCn1nc(-c2ccc([S+](C)[O-])cc2)c(C(C)=O)c(Nc2cccc([N+](=O)[O-])c2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 5/20 0.52
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ PDE4A P27815 4/20 0.40
▸ PDE4C Q08493 4/20 0.40
▸ PDE4D Q08499 4/20 0.40
▸ MAPT P10636 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ ALOX12 P18054 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL4708421 0.89 PDE4B (0.65) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4708217 0.87 PDE4B (0.55) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4706656 0.87 PDE4B (0.55) PDE4BSMN1; SMN2
SCHEMBL4708723 0.85 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL4706063 0.83 PDE4B (0.54) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4706440 0.83 PDE4B (0.54) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4707529 0.83 PDE4B (0.54) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4707247 0.79 PDE4B (0.75) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4710575 0.79 PDE4B (0.74) PDE4BACHEBACE1MAPTSMN1; SMN2
SCHEMBL4708373 0.79 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DMAPT

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 9 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
EP-1503992-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-02-09 — — EP claimed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 — — WO 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 3/4885ACHE 51/4885BACE1 1757/4885
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B PDE4B 3/4885ACHE 51/4885BACE1 1757/4885

“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.

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