SCHEMBL4054901

SCHEMBL4054901

[CH2]OC(=O)c1c(-c2ccccc2)nn(CC)c(=O)c1Nc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.56
TBXAS1 P24557 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.40
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL4054904 0.92 PDE4B (0.57) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4053547 0.90 PDE4B (0.56) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4050108 0.89 PDE4B (0.63) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4054383 0.89 PDE4B (0.54) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4049804 0.89 PDE4B (0.54) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4052637 0.89 PDE4B (0.54) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3036709 0.88 PDE4B (0.71) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4052404 0.88 PDE4B (0.55) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4053504 0.88 PDE4B (0.53) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4050336 0.88 PDE4B (0.53) PDE4BTBXAS1ALDH1A1L3MBTL1SMN1; 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 2 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

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 PDE4B 3/4885TBXAS1 1019/4885ALDH1A1 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.