SCHEMBL519076

SCHEMBL519076

CN(C)/C=C/C(=O)c1nn(-c2ccccc2C(F)(F)F)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
GAA P10253 3/20 0.39
RECQL P46063 1/20 0.38
CYP2C9 P11712 2/20 0.38
AMY1A P0DUB6 1/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
AADAT Q8N5Z0 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL519077 1.00 ALDH1A1 (0.42) ALDH1A1GAARECQLCYP2C9AMY1A
SCHEMBL518411 0.85 TDP1 (0.47) ALDH1A1GAARECQLCYP2C9MAPT
SCHEMBL518412 0.85 TDP1 (0.47) ALDH1A1GAARECQLCYP2C9MAPT
SCHEMBL10291027 0.84 GAA (0.39) ALDH1A1GAACYP2C9MAPTMEN1
SCHEMBL16627461 0.84 GAA (0.39) ALDH1A1GAACYP2C9MAPTMEN1
SCHEMBL518698 0.84 RECQL (0.44) ALDH1A1GAARECQLCYP2C9MAPT
SCHEMBL518699 0.84 RECQL (0.44) ALDH1A1GAARECQLCYP2C9MAPT
SCHEMBL518710 0.83 MAPT (0.42) ALDH1A1GAARECQLCYP2C9MAPT
SCHEMBL14237500 0.83 RECQL (0.40) ALDH1A1GAARECQLCYP2C9MAPT
SCHEMBL518709 0.83 MAPT (0.42) ALDH1A1GAARECQLCYP2C9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
EP-3006031-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2016-04-13 EP disclosed
EP-2393360-B1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 US disclosed
US-8916566-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
US-8778944-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8513251-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-20 US disclosed
US-8435995-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8354411-B2 1-phenyl-3-pyrazolylpyridazin-4(1H)-one compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-15 US disclosed
US-20120277204-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120277431-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120277430-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
EP-2393360-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-12-14 EP disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 WO disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 US disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 US 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 (7 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-20120277431-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B ALDH1A1 350/4885GAA 1517/4885RECQL 898/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B ALDH1A1 350/4885GAA 1517/4885RECQL 898/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B ALDH1A1 331/4885GAA 852/4885RECQL 261/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B ALDH1A1 343/4885GAA 924/4885RECQL 243/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B ALDH1A1 350/4885GAA 1517/4885RECQL 898/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B ALDH1A1 350/4885GAA 1517/4885RECQL 898/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B ALDH1A1 334/4885GAA 1440/4885RECQL 833/4885

“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.