SCHEMBL3022650

SCHEMBL3022650

CCOC(=O)c1noc(C)c1C(=O)c1cccc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 5/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
CTRB1 P17538 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3029014 0.87 HTT (0.56) HTTALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL3036700 0.86 HTT (0.56) ELANEHTTALDH1A1NPSR1SMN1; SMN2
SCHEMBL2822374 0.85 HTT (0.55) ELANEHTTALDH1A1NPC1RAB9A
SCHEMBL1374393 0.85 ALDH1A1 (0.53) HTTALDH1A1NPSR1SMN1; SMN2MAPT
SCHEMBL3038660 0.84 HTT (0.69) ELANEHTTALDH1A1NPSR1SMN1; SMN2
SCHEMBL994810 0.83 HTT (0.54) ELANEHTTALDH1A1NPSR1SMN1; SMN2
SCHEMBL3032698 0.79 ALDH1A1 (0.54) HTTALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL3032322 0.78 ALDH1A1 (0.53) ELANEHTTALDH1A1NPSR1SMN1; SMN2
SCHEMBL3038647 0.78 ALDH1A1 (0.49) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL1248647 0.77 SMN1; SMN2 (0.65) ELANEALDH1A1NPSR1SMN1; SMN2MAPT

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 ELANE 2602/4885HTT 4717/4885ALDH1A1 444/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B ELANE 2692/4885HTT 4720/4885ALDH1A1 451/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B ELANE 2602/4885HTT 4717/4885ALDH1A1 444/4885

“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.