SCHEMBL4053568

SCHEMBL4053568

CCOC(=O)CCCCCOC(=O)c1c(-c2cccs2)nn(CC)c(=O)c1Nc1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.38
ADORA1 P30542 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HIF1A Q16665 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
PDE4B Q07343 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL4054073 1.00 TBXAS1 (0.38) TBXAS1ADORA1ALDH1A1HIF1AMEN1
SCHEMBL4056733 0.90 ALDH1A1 (0.43) ADORA1ALDH1A1HIF1AMEN1KMT2A
SCHEMBL4051352 0.89 ADORA1 (0.40) ADORA1ALDH1A1HIF1AMEN1KMT2A
SCHEMBL4051245 0.89 NPSR1 (0.37) TBXAS1ADORA1ALDH1A1HIF1AHPGD
SCHEMBL4058812 0.89 NPSR1 (0.37) TBXAS1ADORA1ALDH1A1HIF1AHPGD
SCHEMBL4051188 0.87 PDE4B (0.37) TBXAS1ALDH1A1MEN1KMT2AUSP2
SCHEMBL4050947 0.87 PDE4B (0.37) TBXAS1ALDH1A1MEN1KMT2AUSP2
SCHEMBL4049875 0.87 ADORA1 (0.41) TBXAS1ADORA1ALDH1A1HIF1AMEN1
SCHEMBL4059284 0.84 ADORA1 (0.41) TBXAS1ADORA1ALDH1A1HIF1AMEN1
SCHEMBL4048802 0.84 ADORA1 (0.37) ADORA1ALDH1A1HIF1AHPGDNPSR1

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 TBXAS1 1019/4885ADORA1 311/4885ALDH1A1 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.