SCHEMBL518481

SCHEMBL518481

CCC(=O)C(=NNc1cccc(C(F)(F)F)c1)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.55
ALOX12 P18054 2/20 0.55
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 7/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 4/20 0.47
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 4/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 2/20 0.44
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL518480 1.00 GAA (0.55) GAAALOX12SMN1; SMN2MAPTALDH1A1
SCHEMBL7790094 1.00 GAA (0.55) GAAALOX12SMN1; SMN2MAPTALDH1A1
SCHEMBL518588 0.89 SMN1; SMN2 (0.58) GAAALOX12SMN1; SMN2MAPTALDH1A1
SCHEMBL7793781 0.89 SMN1; SMN2 (0.58) GAAALOX12SMN1; SMN2MAPTALDH1A1
SCHEMBL518587 0.89 SMN1; SMN2 (0.58) GAAALOX12SMN1; SMN2MAPTALDH1A1
SCHEMBL519075 0.86 MAPT (0.54) GAAALOX12SMN1; SMN2MAPTALDH1A1
SCHEMBL7784314 0.86 MAPT (0.54) GAAALOX12SMN1; SMN2MAPTALDH1A1
SCHEMBL519074 0.86 MAPT (0.54) GAAALOX12SMN1; SMN2MAPTALDH1A1
SCHEMBL8369485 0.82 MAPT (0.51) GAAALOX12SMN1; SMN2MAPTALDH1A1
SCHEMBL3711440 0.80 SMN1; SMN2 (0.58) GAAALOX12SMN1; SMN2MAPTALDH1A1

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 17 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-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-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

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 GAA 1517/4885ALOX12 4237/4885SMN1; SMN2 3388/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B GAA 1517/4885ALOX12 4237/4885SMN1; SMN2 3388/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B GAA 852/4885ALOX12 3463/4885SMN1; SMN2 2942/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B GAA 924/4885ALOX12 3507/4885SMN1; SMN2 3025/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B GAA 1517/4885ALOX12 4237/4885SMN1; SMN2 3388/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B GAA 1517/4885ALOX12 4237/4885SMN1; SMN2 3388/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B GAA 1440/4885ALOX12 4206/4885SMN1; SMN2 3277/4885

“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.