SCHEMBL513375

SCHEMBL513375

Cc1nn(C)c(=O)c(OC(=O)O)c1O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.34
ACVR1 Q04771 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL7522490 0.71 GAA (0.35) ALDH1A1GAAKDM4EL3MBTL1MAPT
Bicarbonate SCHEMBL513277 0.69 CDK8 (0.37) CDK8ACVR1ALDH1A1GAAKDM4E
SCHEMBL1889853 0.66 L3MBTL1 (0.43) CDK8ACVR1ALDH1A1GAAKDM4E
SCHEMBL15768037 0.66 KDM4E (0.39) ALDH1A1GAAKDM4EL3MBTL1MAPT
SCHEMBL12647732 0.62 KDM4E (0.42) ALDH1A1GAAKDM4EL3MBTL1MAPT
SCHEMBL8854253 0.62 L3MBTL1 (0.38) ALDH1A1GAAKDM4EL3MBTL1MAPT
SCHEMBL387508 0.62 ERCC1 (0.37) ALDH1A1GAAKDM4EL3MBTL1MAPT
SCHEMBL14844458 0.62 KDM4E (0.39) CDK8ACVR1ALDH1A1GAAKDM4E
SCHEMBL9194890 0.62 KDM4E (0.42) ALDH1A1GAAKDM4EL3MBTL1MAPT
SCHEMBL8588935 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL 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 (1 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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR CDK8 3755/4885ACVR1 1220/4885ALDH1A1 1293/4885

“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.