SCHEMBL4058812

SCHEMBL4058812

CCOC(=O)CCCCCOC(=O)c1c(-c2cccs2)nn(CC)c(=O)c1Nc1cnccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.37
HPGD P15428 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HIF1A Q16665 2/20 0.37
ADORA1 P30542 1/20 0.36
TBXAS1 P24557 2/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 4/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL4051245 1.00 NPSR1 (0.37) NPSR1HPGDALDH1A1HIF1AADORA1
SCHEMBL4053216 0.90 NPSR1 (0.44) NPSR1HPGDALDH1A1HIF1AADORA1
SCHEMBL4053868 0.89 ALDH1A1 (0.40) NPSR1HPGDALDH1A1HIF1AADORA1
SCHEMBL4054073 0.89 TBXAS1 (0.38) NPSR1HPGDALDH1A1HIF1AADORA1
SCHEMBL4053568 0.89 TBXAS1 (0.38) NPSR1HPGDALDH1A1HIF1AADORA1
SCHEMBL4052552 0.88 ADORA1 (0.37) NPSR1HPGDALDH1A1HIF1AADORA1
SCHEMBL4048802 0.88 ADORA1 (0.37) NPSR1HPGDALDH1A1HIF1AADORA1
SCHEMBL4049348 0.88 ADORA1 (0.39) NPSR1HPGDALDH1A1HIF1AADORA1
SCHEMBL4054505 0.85 ADORA1 (0.40) NPSR1HPGDALDH1A1HIF1AADORA1
SCHEMBL5265041 0.84 ALDH1A1 (0.36) NPSR1HPGDALDH1A1HIF1AADORA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029996-A1 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, S.A. (ES) 2009-01-29 US claimed
US-20090029996-A1 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, S.A. (ES) 2009-01-29 US disclosed
EP-1781621-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Laboratorios Almirall, S.A. (ES) 2007-05-09 EP disclosed
WO-2005123693-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-20090029996-A1 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 PDE12, PDE4A, PDE4B NPSR1 3572/4885HPGD 316/4885ALDH1A1 324/4885

“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.