SCHEMBL519010

SCHEMBL519010

CC(=O)C(=NNc1ccccc1C)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.54
HPGD P15428 3/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 4/20 0.47
MAPK1 P28482 2/20 0.47
CRHR1 P34998 2/20 0.46
EPHX1 P07099 1/20 0.45
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL9068062 0.82 ALDH1A1 (0.51) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL9068060 0.82 ALDH1A1 (0.51) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL8656250 0.80 ALDH1A1 (0.50) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL9053235 0.80 ALDH1A1 (0.52) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL9053232 0.80 ALDH1A1 (0.52) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL518603 0.80 MAPT (0.50) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL518953 0.80 RAB9A (0.48) ALDH1A1GAANPC1RAB9ATDP1
SCHEMBL519170 0.79 ALDH1A1 (0.70) ALDH1A1GAANPC1RAB9ATDP1
SCHEMBL519266 0.77 L3MBTL1 (0.45) ALDH1A1TDP1KDM4EMAPTMAPK1
SCHEMBL519935 0.77 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTMAPK1

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 42 patents — showing the first 20. 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-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
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
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 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-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-20120277431-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-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 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
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 (5 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 1517/4885HPGD 593/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B ALDH1A1 331/4885GAA 852/4885HPGD 193/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B ALDH1A1 343/4885GAA 924/4885HPGD 203/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B ALDH1A1 350/4885GAA 1517/4885HPGD 593/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B ALDH1A1 334/4885GAA 1440/4885HPGD 550/4885

“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.