SCHEMBL4050815

SCHEMBL4050815

CCn1nc(-c2cccs2)c(C(=O)OCc2ccc(C(=O)OC)cc2)c(Nc2cnccc2C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HPGD P15428 2/20 0.37
HIF1A Q16665 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 5/20 0.37
ADORA1 P30542 1/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4B Q07343 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
NAMPT P43490 1/20 0.35
HDAC3 O15379 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL4051583 0.92 ADORA1 (0.39) ALDH1A1NPSR1HPGDHIF1AADORA1
SCHEMBL4051471 0.92 ADORA1 (0.37) ALDH1A1NPSR1HPGDHIF1AMAPT
SCHEMBL4053216 0.89 NPSR1 (0.44) ALDH1A1NPSR1HPGDHIF1APKM
SCHEMBL4051281 0.88 MAPT (0.40) ALDH1A1NPSR1HPGDPKMMAPT
SCHEMBL4051768 0.87 ADORA1 (0.36) ALDH1A1NPSR1HPGDHIF1APKM
SCHEMBL4049579 0.87 ADORA1 (0.38) ALDH1A1NPSR1PKMMAPTADORA1
SCHEMBL4053577 0.87 PKM (0.37) ALDH1A1HPGDPKMMAPTRAB9A
SCHEMBL5265041 0.86 ALDH1A1 (0.36) ALDH1A1NPSR1HPGDHIF1APKM
SCHEMBL4054505 0.86 ADORA1 (0.40) ALDH1A1NPSR1HPGDHIF1APKM
SCHEMBL4053868 0.85 ALDH1A1 (0.40) ALDH1A1NPSR1HPGDHIF1APKM

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 ALDH1A1 324/4885NPSR1 3572/4885HPGD 316/4885

“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.