SCHEMBL4707632

SCHEMBL4707632

CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccccc2[N+](=O)[O-])c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.63
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
CSF1R P07333 1/20 0.40
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
CSNK1A1 P48729 1/20 0.40

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
SCHEMBL4708375 0.89 PDE4B (0.59) PDE4BACHEBACE1TP53SMN1; SMN2
SCHEMBL4708011 0.85 PDE4B (0.59) PDE4BACHEBACE1TP53SMN1; SMN2
SCHEMBL4705603 0.84 PDE4B (0.69) PDE4BACHEBACE1TP53SMN1; SMN2
SCHEMBL4710575 0.84 PDE4B (0.74) PDE4BACHEBACE1SMN1; SMN2MAPK1
SCHEMBL4706389 0.84 PDE4B (0.58) PDE4BACHEBACE1TP53SMN1; SMN2
SCHEMBL4708631 0.84 PDE4B (0.58) PDE4BACHEBACE1TP53SMN1; SMN2
SCHEMBL4707690 0.83 PDE4B (0.70) PDE4BTP53SMN1; SMN2CSF1RFGFR1
SCHEMBL4707277 0.83 PDE4B (0.67) PDE4BACHEBACE1TP53SMN1; SMN2
SCHEMBL4708773 0.83 PDE4B (0.67) PDE4BTP53SMN1; SMN2CSF1RFGFR1
SCHEMBL4706432 0.83 PDE4B (0.67) PDE4BTP53SMN1; SMN2CSF1RFGFR1

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 5 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 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.