SCHEMBL113750

SCHEMBL113750

CCn1c(=O)c(-c2ccccc2C)c(O)c2ccsc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
RCE1 Q9Y256 1/20 0.43
ERCC1 P07992 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
ALDH1A1 P00352 7/20 0.38
BRD4 O60885 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 3/20 0.37
PDE4B Q07343 1/20 0.37
PDE7A Q13946 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL115043 0.85 ERCC1 (0.39) KDM4ERCE1ERCC1ERCC5FEN1
SCHEMBL115058 0.85 ERCC1 (0.37) KDM4ERCE1ERCC1ERCC5FEN1
SCHEMBL116024 0.85 METAP2 (0.39) KDM4ERCE1ERCC1ERCC5FEN1
SCHEMBL115228 0.84 BRD4 (0.42) KDM4EERCC1ERCC5FEN1ERCC4
SCHEMBL115267 0.80 KMT2A (0.50) KDM4ERCE1ERCC5FEN1SMN1; SMN2
SCHEMBL115096 0.78 KDM4E (0.36) KDM4ERCE1ALDH1A1BRD4SMN1; SMN2
SCHEMBL115110 0.76 ADORA2B (0.41) KDM4ERCE1ALDH1A1MAPTSMN1; SMN2
SCHEMBL115239 0.74 KDM4E (0.43) KDM4ERCE1ALDH1A1BRD4MAPT
SCHEMBL115268 0.74 KDM4E (0.35) KDM4ERCE1ALDH1A1BRD4MAPT
SCHEMBL115176 0.73 KDM4E (0.42) KDM4ERCE1ALDH1A1BRD4MAPT

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 KDM4E 525/4885RCE1 3502/4885ERCC1 4641/4885

“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.