SCHEMBL1997451

SCHEMBL1997451

CCOC(=O)C(=O)c1c(C(=O)OCC)noc1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HTT P42858 2/20 0.49
MLYCD O95822 1/20 0.43
CACNA1F O60840 2/20 0.41
CACNA1D Q01668 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
TARBP2 Q15633 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP2 O95551 2/20 0.38
HTR2C P28335 1/20 0.37

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
SCHEMBL2733993 0.83 ALDH1A1 (0.57) ALDH1A1HTTMLYCDCACNA1FCACNA1D
SCHEMBL353667 0.83 ALDH1A1 (0.57) ALDH1A1HTTMLYCDCACNA1FCACNA1D
SCHEMBL9593669 0.79 ALDH1A1 (0.56) ALDH1A1HTTMLYCDCACNA1FCACNA1D
SCHEMBL353518 0.78 ALDH1A1 (0.52) ALDH1A1HTTMLYCDCACNA1FCACNA1D
SCHEMBL16110874 0.78 PTGS1 (0.48) ALDH1A1HTTLMNASMN1; SMN2NPSR1
SCHEMBL12416429 0.78 ALDH1A1 (0.50) ALDH1A1HTTMLYCDCACNA1FCACNA1D
SCHEMBL9206111 0.77 ALDH1A1 (0.50) ALDH1A1HTTMLYCDCACNA1FCACNA1D
SCHEMBL994810 0.76 HTT (0.54) ALDH1A1HTTMLYCDLMNASMN1; SMN2
SCHEMBL3032322 0.76 ALDH1A1 (0.53) ALDH1A1HTTMLYCDLMNASMN1; SMN2
SCHEMBL5209802 0.75 ALDH1A1 (0.52) ALDH1A1HTTMLYCDLMNASMN1; SMN2

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 12 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-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 US disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US disclosed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US 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-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP 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
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 US 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
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP disclosed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 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 (4 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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B ALDH1A1 444/4885HTT 4717/4885MLYCD 3064/4885
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors PDE12, PDE4A, PDE4B ALDH1A1 457/4885HTT 4867/4885MLYCD 4217/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B ALDH1A1 451/4885HTT 4720/4885MLYCD 2745/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B ALDH1A1 444/4885HTT 4717/4885MLYCD 3064/4885

“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.