SCHEMBL518754

SCHEMBL518754

CC(=O)C(=NNc1ccc(F)cc1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 8/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALOX12 P18054 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
AHR P35869 1/20 0.47
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 2/20 0.43
THRB P10828 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
MAPK1 P28482 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 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
SCHEMBL19283212 0.83 MAPT (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13664206 0.83 MAPT (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL19283214 0.83 MAPT (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13259398 0.82 MAPT (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL518402 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11072694 0.81 CA1 (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11072695 0.81 CA1 (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL519184 0.81 SMN1; SMN2 (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11860787 0.81 MAPT (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8369509 0.81 MAPT (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A

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 47 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
EP-2393360-B1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP 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
EP-0869956-B1 PHARMACEUTICAL COMPOSITIONS KNOLL AG (DE) 2001-08-08 EP disclosed
US-5877175-A 3-(PYRIMIDIN-4-YL)-1-PHENYLPYRIDAZIN-4(1H)-ONES, TREATMENT OF SEIZURES AND/OR NEUROLOGICAL DISORDERS SUCH AS EPILEPSY AND/OR CONDITIONS IN WHICH THERE IS NEUROLOGICAL DAMAGE SUCH AS BRAIN TRAUMA, CEREBRAL ISCHAEMIA, HEMORRHAGE, HEAD INJURIES AND KNOLL AKTIENGESELLSCHAFT (DE) 1999-03-02 US disclosed
EP-0869956-A1 PHARMACEUTICAL COMPOSITIONS KNOLL AKTIENGESELLSCHAFT (DE) 1998-10-14 EP disclosed
WO-1996030364-A1 PHARMACEUTICAL COMPOSITIONS KNOLL AKTIENGESELLSCHAFT (DE) 1996-10-03 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 (3 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-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B ALDH1A1 343/4885KDM4E 1652/4885MAPT 4321/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B ALDH1A1 350/4885KDM4E 1514/4885MAPT 4105/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B ALDH1A1 334/4885KDM4E 1502/4885MAPT 4144/4885

“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.