SCHEMBL3033331

SCHEMBL3033331

CCOC(=O)c1nn(CC)c(=O)c(Nc2cccc(Cl)c2)c1C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
PDE4B Q07343 5/20 0.46
PDE4A P27815 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
ALOX5 P09917 2/20 0.46
TRPV1 Q8NER1 1/20 0.43
PTGES O14684 1/20 0.43
ELANE P08246 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA1 P30542 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL4678300 0.88 PDE4B (0.53) ALDH1A1MAPTPDE4BPOLBHPGD
SCHEMBL1993863 0.83 PDE4B (0.46) ALDH1A1MAPTKDM4EPDE4BPDE4A
SCHEMBL4707603 0.83 PDE4B (0.55) ALDH1A1MAPTKDM4EPDE4BPDE4A
SCHEMBL4707865 0.81 PDE4B (0.62) MAPTPDE4BPDE4APDE4CPDE4D
SCHEMBL4058811 0.80 PDE4B (0.70) MAPTPDE4BPDE4APDE4CPDE4D
SCHEMBL3033443 0.78 PDE4B (0.59) MAPTPDE4BPDE4APDE4CPDE4D
SCHEMBL4708479 0.78 PDE4B (0.58) MAPTPDE4BPDE4APDE4CPDE4D
SCHEMBL4706986 0.77 PDE4B (0.57) MAPTPDE4BPDE4APDE4CPDE4D
SCHEMBL3022253 0.77 PDE4B (0.50) ALDH1A1MAPTKDM4EPDE4BPDE4A
SCHEMBL1652702 0.77 PDE4B (0.52) ALDH1A1PDE4BPOLBSMN1; SMN2MEN1

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 12 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 claimed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US claimed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US claimed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP claimed
US-20060173008-A1 New pyridazin-3(2h)-one derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2006-08-03 US claimed
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 ALDH1A1 444/4885MAPT 4154/4885KDM4E 642/4885
US-20060173008-A1 New pyridazin-3(2h)-one derivatives PDE3A, PDE4A, PDE3B ALDH1A1 451/4885MAPT 4236/4885KDM4E 730/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B ALDH1A1 444/4885MAPT 4154/4885KDM4E 642/4885

“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.