SCHEMBL115267

SCHEMBL115267

CCn1c(=O)c(-c2ccccc2C)c(O)c2sccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
FEN1 P39748 12/20 0.45
ERCC5 P28715 4/20 0.45
GAA P10253 1/20 0.45
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RCE1 Q9Y256 1/20 0.43
PDE4B Q07343 1/20 0.42
PDE7A Q13946 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL115026 0.85 GAA (0.42) KMT2AFEN1ERCC5GAAKCNH2
SCHEMBL116013 0.85 GAA (0.42) KMT2AFEN1ERCC5GAAKCNH2
SCHEMBL114983 0.85 GAA (0.42) KMT2AFEN1ERCC5GAAKCNH2
SCHEMBL115090 0.84 EGLN1 (0.45) KMT2AFEN1ERCC5GAAKCNH2
SCHEMBL113750 0.80 KDM4E (0.43) KMT2AFEN1ERCC5GAAKDM4E
SCHEMBL115107 0.78 KDM4E (0.45) KMT2AFEN1ERCC5GAAKDM4E
SCHEMBL115126 0.78 PDE4B (0.38) GAAKCNH2KDM4ERCE1PDE4B
SCHEMBL115127 0.75 PDE4B (0.38) KMT2AGAAKDM4ERCE1PDE4B
SCHEMBL113740 0.73 KDM4E (0.42) GAAKDM4ERCE1SMN1; SMN2
SCHEMBL113779 0.73 HEXA (0.40) KMT2AGAAKDM4ERCE1PDE4B

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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 KMT2A 175/4885FEN1 3630/4885ERCC5 4625/4885

“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.