SCHEMBL4048802

SCHEMBL4048802

CCOC(=O)CCCCCCOC(=O)c1c(-c2cccs2)nn(CC)c(=O)c1Nc1cncc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.37
RECQL P46063 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TNF P01375 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.33
TOP2A P11388 1/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HIF1A Q16665 2/20 0.33
GAA P10253 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 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
SCHEMBL4052552 1.00 ADORA1 (0.37) ADORA1RECQLALDH1A1TNFMAPT
SCHEMBL4053146 0.90 ADORA1 (0.43) ADORA1RECQLALDH1A1MAPTLMNA
SCHEMBL4051228 0.90 ADORA1 (0.40) ADORA1RECQLALDH1A1MAPTLMNA
SCHEMBL4058085 0.88 ALDH1A1 (0.35) RECQLALDH1A1TNFMAPTLMNA
SCHEMBL4052628 0.88 ALDH1A1 (0.35) RECQLALDH1A1TNFMAPTLMNA
SCHEMBL4058812 0.88 NPSR1 (0.37) ADORA1RECQLALDH1A1MAPTLMNA
SCHEMBL4051245 0.88 NPSR1 (0.37) ADORA1RECQLALDH1A1MAPTLMNA
SCHEMBL4057121 0.88 ADORA1 (0.40) ADORA1RECQLALDH1A1MAPTLMNA
SCHEMBL5316628 0.85 HSD17B10 (0.40) ADORA1ALDH1A1TNFMAPTLMNA
SCHEMBL4059427 0.85 ADORA1 (0.41) ADORA1RECQLALDH1A1MAPTLMNA

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 ADORA1 311/4885RECQL 2161/4885ALDH1A1 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.