Sugi Predict

Sugi Predict / Compounds / SCHEMBL4374750

SCHEMBL4374750

SCHEMBL4374750

CCCCCc1cn[nH]c(=O)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GRIN2D O15399 4/20 0.34
▸ GRIN3B O60391 4/20 0.34
▸ GRIN1 Q05586 4/20 0.34
▸ GRIN2A Q12879 4/20 0.34
▸ GRIN2B Q13224 4/20 0.34
▸ GRIN2C Q14957 4/20 0.34
▸ GRIN3A Q8TCU5 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ XDH P47989 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HCAR2 Q8TDS4 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
SCHEMBL4372160 0.75 PARP1 (0.38) MAPTALDH1A1XDHGPR84HCAR2
SCHEMBL8601231 0.72 L3MBTL1 (0.35) SMN1; SMN2KMT2AMAPTALDH1A1GPR84
SCHEMBL971909 0.71 ALDH1A1 (0.46) SMN1; SMN2KMT2AMAPTALDH1A1KCNH2
SCHEMBL11765109 0.71 HRH3 (0.40) MAPTXDHHCAR2
SCHEMBL9236915 0.70 TYMP (0.35) MAPTALDH1A1XDHGPR84HCAR2
SCHEMBL17591101 0.69 CYP3A4 (0.39) KMT2AMAPTKCNH2HCAR2
SCHEMBL2362891 0.68 CYP3A4 (0.39) KMT2AMAPTALDH1A1GPR84KCNH2
SCHEMBL9015245 0.68 KCNH2 (0.36) ALDH1A1GPR84KCNH2
SCHEMBL3261204 0.67 TLR8 (0.39) SMN1; SMN2KMT2AMAPTALDH1A1GPR84
SCHEMBL324955 0.67 ALOX5 (0.41) KMT2AMAPTALDH1A1HCAR2

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-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 — — US disclosed
US-20070197536-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) 2007-08-23 — — US disclosed
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 — — EP disclosed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 — — 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-20070197536-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, PDE7A SMN1; SMN2 4800/4885KMT2A 1928/4885GRIN2D 2123/4885

“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.