SCHEMBL3029374

SCHEMBL3029374

COc1cccc(-c2n[nH]c(=O)c3noc(C)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
NOTUM Q6P988 1/20 0.47
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
DYRK1A Q13627 2/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3028596 0.85 NOTUM (0.45) GAANOTUMGSK3BGPBAR1ALDH1A1
SCHEMBL1376313 0.85 GSK3A (0.50) NOTUMGSK3AGSK3BALDH1A1LMNA
SCHEMBL2821218 0.83 CACNA1F (0.41) GAAALDH1A1DCUN1D1NPC1RAB9A
SCHEMBL3032907 0.83 NOTUM (0.43) GAANOTUMGPBAR1ALDH1A1HPGD
SCHEMBL3033106 0.83 PTGS1 (0.50) NOTUMGPBAR1ALDH1A1LMNAHTT
SCHEMBL994138 0.82 MAPT (0.49) GAAGSK3AGSK3BALDH1A1SMN1; SMN2
SCHEMBL3039519 0.82 GPR119 (0.48) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL3032948 0.77 ALDH1A1 (0.36) GAAALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3036670 0.77 MAP2K4 (0.45) ALDH1A1
SCHEMBL4681966 0.76 MAPT (0.38) GAAALDH1A1SMN1; SMN2NPSR1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 US disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US disclosed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US disclosed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP disclosed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 US disclosed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP disclosed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 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 (3 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-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B GAA 1143/4885NOTUM 2910/4885GSK3A 816/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B GAA 1323/4885NOTUM 2673/4885GSK3A 914/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B GAA 1143/4885NOTUM 2910/4885GSK3A 816/4885

“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.