SCHEMBL4708375

SCHEMBL4708375

CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccc([N+](=O)[O-])c3ccccc23)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.59
AKR1C4 P17516 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
AR P10275 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
TSHR P16473 1/20 0.38
CSF1R P07333 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL4707632 0.89 PDE4B (0.63) PDE4BAKR1C3AKR1C2ACHEBACE1
SCHEMBL4708626 0.85 PDE4B (0.64) PDE4BSMN1; SMN2TP53MEN1POLB
SCHEMBL4706572 0.85 PDE4B (0.66) PDE4BAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4707330 0.83 PDE4B (0.66) PDE4BACHEBACE1SMN1; SMN2TP53
SCHEMBL4708631 0.83 PDE4B (0.58) PDE4BACHEBACE1SMN1; SMN2TP53
SCHEMBL4707901 0.82 PDE4B (0.65) PDE4BSMN1; SMN2TP53MEN1POLB
SCHEMBL4707491 0.82 PDE4B (0.60) PDE4BACHEBACE1SMN1; SMN2TP53
SCHEMBL4708011 0.81 PDE4B (0.59) PDE4BACHEBACE1SMN1; SMN2TP53
SCHEMBL4710575 0.81 PDE4B (0.74) PDE4BACHEBACE1SMN1; SMN2MEN1
SCHEMBL4706389 0.81 PDE4B (0.58) PDE4BACHEBACE1SMN1; SMN2TP53

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 3/4885AKR1C4 743/4885AKR1C3 1430/4885
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B PDE4B 3/4885AKR1C4 743/4885AKR1C3 1430/4885

“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.