SCHEMBL512824

SCHEMBL512824

CCc1cc(-c2ccccc2)cc(CC)c1-c1c(OC(C)=O)c(C)nn(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.41
ACVR1 Q04771 1/20 0.41
BACE1 P56817 2/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 3/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CSF1R P07333 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
CSNK1A1 P48729 1/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL3786794 0.77 HTR1A (0.36) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL469880 0.74 HPGD (0.41) CDK8ACVR1KDM4EALDH1A1HPGD
SCHEMBL28509988 0.74 CDK8 (0.35) CDK8ACVR1BACE1KDM4ESMN1; SMN2
SCHEMBL515543 0.73 HPGD (0.40) CDK8ACVR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL27365463 0.73 BACE1 (0.45) CDK8ACVR1BACE1KDM4ESMN1; SMN2
SCHEMBL12481433 0.72 KDM4E (0.33) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL509875 0.72 SMN1; SMN2 (0.35) CDK8ACVR1SMN1; SMN2ALDH1A1TP53
SCHEMBL23628499 0.71 PREP (0.34) CDK8ACVR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL17224764 0.71 KDM4E (0.39) CDK8ACVR1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL469902 0.71 CRHR1 (0.34) CDK8ACVR1KDM4ESMN1; SMN2TP53

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 CDK8 1446/4885ACVR1 955/4885BACE1 3008/4885
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR CDK8 3755/4885ACVR1 1220/4885BACE1 3973/4885

“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.