SCHEMBL1997065

SCHEMBL1997065

CCn1nc(C(=O)OCCOC)c(C(C)=O)c(N)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 1/20 0.36
PDE4A P27815 5/20 0.35
PDE4B Q07343 5/20 0.35
PDE4C Q08493 5/20 0.35
PDE4D Q08499 5/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
USP2 O75604 2/20 0.35
MEN1 O00255 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
POLB P06746 2/20 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
SCHEMBL1996657 0.87 ALDH1A1 (0.46) ALDH1A1GAAPDE4APDE4BPDE4C
SCHEMBL1997382 0.85 PDE4B (0.38) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL1994031 0.85 MAPT (0.48) TP53ALDH1A1GAARAB9AKMT2A
SCHEMBL1996618 0.84 MAPK1 (0.43) TP53ALDH1A1RAB9APDE4APDE4B
SCHEMBL1993161 0.81 PDE4A (0.35) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL2000653 0.81 ALDH1A1 (0.41) ALDH1A1GAAPDE4APDE4BPDE4C
SCHEMBL1995088 0.80 PDE4B (0.33) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL1994634 0.80 ALDH1A1 (0.36) TP53ALDH1A1RAB9APDE4APDE4B
SCHEMBL1998954 0.75 ALDH1A1 (0.54) ALDH1A1GAARAB9AKMT2AMAPT
SCHEMBL1999701 0.74 ALDH1A1 (0.33) ALDH1A1KMT2AMAPTPOLBNPSR1

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-7960383-B2 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL SA (ES) 2011-06-14 US disclosed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP disclosed
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 US disclosed
EP-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP disclosed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 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 (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-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors PDE12, PDE4A, PDE4B TP53 4706/4885ALDH1A1 457/4885GAA 1381/4885

“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.