SCHEMBL1998954

SCHEMBL1998954

CCn1nc(C(=O)OCc2cccc(OC)c2)c(C(C)=O)c(N)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP12 P39900 2/20 0.46
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
PRKCZ Q05513 2/20 0.44
PRKCI P41743 1/20 0.44
KCNH2 Q12809 1/20 0.44
THRB P10828 1/20 0.43
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2000048 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTMAOAMAOB
SCHEMBL1995068 0.87 MAPT (0.48) ALDH1A1KDM4EMAPTMAOAMAOB
SCHEMBL1998180 0.80 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTMAOAMAOB
SCHEMBL1996618 0.79 MAPK1 (0.43) ALDH1A1KDM4EMAPTADORA2AADORA2B
SCHEMBL1997939 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTMAOAMAOB
SCHEMBL3028623 0.77 RIPK2 (0.50) ALDH1A1KDM4EMAPTADORA2AADORA2B
SCHEMBL1996657 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EGAANPSR1
SCHEMBL1997382 0.76 PDE4B (0.38) ALDH1A1KDM4EMAPTLMNANPSR1
SCHEMBL1997065 0.75 TP53 (0.37) ALDH1A1KDM4EMAPTGAATHRB
SCHEMBL1993161 0.72 PDE4A (0.35) ALDH1A1MAPTKMT2A

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 ALDH1A1 457/4885KDM4E 742/4885MAPT 2663/4885

“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.