SCHEMBL10258552

SCHEMBL10258552

COC(=O)c1nn(-c2cccc(C)c2)c(=O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.61
CYP2C19 P33261 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CYP2C9 P11712 2/20 0.61
GAA P10253 3/20 0.56
KMT2A Q03164 2/20 0.56
CYP3A4 P08684 2/20 0.54
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPK1 P28482 1/20 0.47
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL10258911 0.89 SMN1; SMN2 (0.50) CYP1A2CYP2C19SMN1; SMN2CYP2C9GAA
SCHEMBL8369691 0.85 SMN1; SMN2 (0.47) CYP1A2CYP2C19SMN1; SMN2CYP2C9GAA
SCHEMBL519301 0.83 CYP1A2 (0.63) CYP1A2CYP2C19SMN1; SMN2CYP2C9GAA
SCHEMBL10258442 0.83 SMN1; SMN2 (0.46) CYP1A2CYP2C19SMN1; SMN2CYP2C9GAA
SCHEMBL25077939 0.78 GAA (0.53) CYP1A2CYP2C19SMN1; SMN2CYP2C9GAA
SCHEMBL8370906 0.77 KMT2A (0.52) SMN1; SMN2GAAKMT2AALDH1A1RAB9A
SCHEMBL5717653 0.76 ALDH1A1 (0.68) CYP1A2CYP2C19SMN1; SMN2CYP2C9GAA
SCHEMBL12495068 0.76 CYP2C19 (1.00) CYP1A2CYP2C19SMN1; SMN2CYP2C9GAA
SCHEMBL18673502 0.76 ELANE (0.65) GAAKMT2AALDH1A1L3MBTL1
SCHEMBL5717543 0.75 GAA (0.69) CYP1A2CYP2C19SMN1; SMN2CYP2C9GAA

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 13 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-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-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 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-20120277430-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 CYP1A2 116/4885CYP2C19 218/4885SMN1; SMN2 3388/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CYP1A2 116/4885CYP2C19 218/4885SMN1; SMN2 3388/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B CYP1A2 116/4885CYP2C19 201/4885SMN1; SMN2 2942/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B CYP1A2 120/4885CYP2C19 199/4885SMN1; SMN2 3025/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CYP1A2 116/4885CYP2C19 218/4885SMN1; SMN2 3388/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CYP1A2 116/4885CYP2C19 218/4885SMN1; SMN2 3388/4885

“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.