SCHEMBL2828720

SCHEMBL2828720

CCCN(CCO)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.44
CA9 Q16790 5/20 0.44
CA2 P00918 5/20 0.44
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.38
CA1 P00915 5/20 0.37
ALDH2 P05091 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
MLYCD O95822 1/20 0.32
CA14 Q9ULX7 1/20 0.31
PYGL P06737 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31

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
SCHEMBL42388 0.90 CA12 (0.52) CA12CA9CA2TSHRMAPK1
SCHEMBL107452 0.90 CA12 (0.52) CA12CA9CA2TSHRMAPK1
SCHEMBL4050692 0.87 CA12 (0.50) CA12CA9CA2TSHRMAPK1
Hydrochloric Acid SCHEMBL27324500 0.87 CA12 (0.50) CA12CA9CA2TSHRMAPK1
SCHEMBL4056597 0.87 CA12 (0.50) CA12CA9CA2TSHRMAPK1
SCHEMBL4058348 0.87 CA12 (0.50) CA12CA9CA2TSHRMAPK1
SCHEMBL194829 0.87 CA12 (0.39) CA12CA9CA2ALDH1A1CA1
SCHEMBL2827083 0.86 CA12 (0.41) CA12CA9CA2TSHRMAPK1
SCHEMBL2827436 0.86 CA1 (0.48) CA12CA9CA2ALDH1A1HPGD
SCHEMBL2829220 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111378167-A Dynamic polymer with hybrid cross-linked network 翁秋梅 2020-07-07 CN disclosed
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 EP disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 EP disclosed
CN-103635462-A Method for producing acrylic esters BASF SE 2014-03-12 CN disclosed
CN-1993316-B Catalytic methods for the production of (meth)acrylates from n-hydroxyalkylated amides BASF AG 2011-07-20 CN disclosed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP disclosed
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2010-08-12 US disclosed
CN-100494296-C Gas barrier film FUTAMURA KAGAKU K K (JP) 2009-06-03 CN disclosed
US-20090111819-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES LABORATORIOS ALMIRALL, S. A. 2009-04-30 US disclosed
US-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 US disclosed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP disclosed
CN-1993316-A Catalytic methods for the production of (meth)acrylates from n-hydroxyalkylated amides BASF AG (DE) 2007-07-04 CN disclosed
EP-1781621-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Laboratorios Almirall, S.A. (ES) 2007-05-09 EP 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-2005123693-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO disclosed
EP-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 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
CN-1618906-A Gas barrier film FUTAMURA KAGAKU K K (JP) 2005-05-25 CN 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 (2 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 CA12 4606/4885CA9 2719/4885CA2 1378/4885
US-20100204241-A9 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES PDE4A, PDE3A, PDE3B CA12 4606/4885CA9 2719/4885CA2 1378/4885

“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.