SCHEMBL115141

SCHEMBL115141

Cc1ccccc1-c1c(O)c2sc(-c3ccccc3)cc2n(CC(F)F)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.39
NR1I2 O75469 4/20 0.39
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
RCE1 Q9Y256 1/20 0.34
TYMS P04818 1/20 0.34
ADORA2A P29274 1/20 0.34
KCNH2 Q12809 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GHSR Q92847 1/20 0.33

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
SCHEMBL115107 0.88 KDM4E (0.45) CASRNR1I2ERCC5FEN1KDM4E
SCHEMBL115321 0.83 LMNA (0.36) CASRNR1I2ERCC5FEN1KDM4E
SCHEMBL115360 0.82 LMNA (0.44) CASRNR1I2ERCC5FEN1KDM4E
SCHEMBL116013 0.79 GAA (0.42) ERCC5FEN1KMT2AKCNH2GAA
SCHEMBL115144 0.75 CASR (0.38) CASRNR1I2GNRHR
SCHEMBL115943 0.73 CASR (0.34) CASRNR1I2KMT2AKCNH2GNRHR
SCHEMBL115292 0.73 CASR (0.36) CASRNR1I2MAPTNPSR1GNRHR
SCHEMBL115161 0.73 HEXA (0.36) CASRNR1I2KDM4E
SCHEMBL115168 0.72 CASR (0.34) CASRNR1I2NPC1RAB9AMEN1
SCHEMBL115975 0.72 CASR (0.34) CASRNR1I2LMNAMEN1KMT2A

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 CASR 4298/4885NR1I2 2192/4885ERCC5 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.