SCHEMBL115058

SCHEMBL115058

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA2B P29275 1/20 0.33
RCE1 Q9Y256 1/20 0.32
TACR1 P25103 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ESR1 P03372 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
SCHEMBL113750 0.85 KDM4E (0.43) ERCC1ERCC5FEN1ERCC4SMN1; SMN2
SCHEMBL115043 0.81 ERCC1 (0.39) ERCC1ERCC5FEN1ERCC4BRD4
SCHEMBL116024 0.81 METAP2 (0.39) ERCC1ERCC5FEN1ERCC4BRD4
SCHEMBL114983 0.81 GAA (0.42) ERCC5FEN1GAA
SCHEMBL115228 0.80 BRD4 (0.42) ERCC1ERCC5FEN1ERCC4LMNA
SCHEMBL114962 0.80 SMN1; SMN2 (0.34) LMNARAB9ASMN1; SMN2BRD4ALDH1A1
SCHEMBL115320 0.78 TP53 (0.38) LMNARAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL115060 0.78 KDM4E (0.37) LMNARAB9ASMN1; SMN2BRD4ALDH1A1
SCHEMBL113670 0.76 CASR (0.38) LMNARAB9ASMN1; SMN2BRD4ALDH1A1
SCHEMBL115317 0.76 KDM5A (0.33) LMNARAB9ASMN1; SMN2KDM4ETP53

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 ERCC1 4641/4885ERCC5 4625/4885FEN1 3630/4885

“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.