SCHEMBL513119

SCHEMBL513119

C#Cc1cc(C)cc(C)c1-c1c(O)c(C)nn(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
CRHR1 P34998 2/20 0.32
LMNA P02545 1/20 0.31
CDK8 P49336 1/20 0.31
ACVR1 Q04771 1/20 0.31

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
SCHEMBL12481224 0.86 KDM4E (0.34) KDM4EHPGDCRHR1LMNA
SCHEMBL469635 0.86 KDM4E (0.39) KDM4EHPGDCRHR1LMNACDK8
SCHEMBL16642353 0.78 CRHR1 (0.38) KDM4EHPGDCRHR1LMNACDK8
SCHEMBL3789703 0.76 MAPK8 (0.38) HPGDLMNACDK8ACVR1
SCHEMBL17224783 0.74 MAPT (0.32) KDM4EHPGDLMNA
SCHEMBL514959 0.74 GABRA1 (0.32) CDK8ACVR1
SCHEMBL466412 0.73 MAPT (0.36) HPGDCRHR1LMNACDK8ACVR1
SCHEMBL15344226 0.72 KDM4E (0.38) KDM4EHPGDCRHR1LMNA
SCHEMBL919364 0.72 MAPT (0.38) HPGDLMNACDK8ACVR1
SCHEMBL17224781 0.72 CSNK2A2 (0.41)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470738-B2 Pyridazinone compound and herbicide containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-25 US disclosed
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2188264-B1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-03-23 EP disclosed
US-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
EP-2188264-A2 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-05-26 EP disclosed
WO-2009035150-A2 4-PHENYL-5-HYDROXY-3(2H)-PYRIDAZINONE DERIVATIVES AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 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 (2 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-20100216642-A1 PYRIDAZINONE COMPOUND AND HERBICIDE CONTAINING THE SAME WEE1, WEE2, CBR3 KDM4E 1987/4885HPGD 2260/4885CRHR1 527/4885
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR KDM4E 2181/4885HPGD 733/4885CRHR1 4613/4885

“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.