SCHEMBL7790157

SCHEMBL7790157

[C-]#[N+]c1ccccc1NN=C(C(C)=O)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
MAPK1 P28482 5/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.34
CRHR1 P34998 3/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL519010 0.76 ALDH1A1 (0.54) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL518603 0.75 MAPT (0.50) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL518953 0.75 RAB9A (0.48) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL519170 0.73 ALDH1A1 (0.70) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL519266 0.72 L3MBTL1 (0.45) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL519935 0.72 ALDH1A1 (0.48) MAPTMAPK1ALDH1A1KDM4EL3MBTL1
SCHEMBL518606 0.71 CRHR1 (0.59) MAPTMAPK1ALDH1A1KDM4EL3MBTL1
SCHEMBL518815 0.71 CRHR1 (0.51) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL3718869 0.70 MAPK1 (0.42) MAPTMAPK1ALDH1A1KDM4ETDP1
SCHEMBL28504662 0.70 CA2 (0.56)

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-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-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-8354411-B2 1-phenyl-3-pyrazolylpyridazin-4(1H)-one compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-15 US disclosed
US-20120277430-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-20120277204-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-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 MAPT 4105/4885MAPK1 659/4885ALDH1A1 350/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MAPT 4105/4885MAPK1 659/4885ALDH1A1 350/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MAPT 4201/4885MAPK1 929/4885ALDH1A1 331/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MAPT 4321/4885MAPK1 1021/4885ALDH1A1 343/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MAPT 4105/4885MAPK1 659/4885ALDH1A1 350/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MAPT 4105/4885MAPK1 659/4885ALDH1A1 350/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B MAPT 4144/4885MAPK1 719/4885ALDH1A1 334/4885

“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.