SCHEMBL115107

SCHEMBL115107

CCn1c(=O)c(-c2ccccc2C)c(O)c2sc(-c3ccccc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
RCE1 Q9Y256 1/20 0.45
ADORA2A P29274 1/20 0.41
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 6/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
METAP2 P50579 2/20 0.38

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
SCHEMBL115141 0.88 CASR (0.39) KDM4ERCE1ADORA2ANPC1SMN1; SMN2
SCHEMBL115321 0.88 LMNA (0.36) KDM4ERCE1ADORA2ANPC1SMN1; SMN2
SCHEMBL115360 0.87 LMNA (0.44) KDM4EADORA2ANPC1SMN1; SMN2RAB9A
SCHEMBL115267 0.78 KMT2A (0.50) KDM4ERCE1SMN1; SMN2KMT2AGAA
SCHEMBL115127 0.74 PDE4B (0.38) KDM4ERCE1NPC1SMN1; SMN2LMNA
SCHEMBL113779 0.72 HEXA (0.40) KDM4ERCE1SMN1; SMN2LMNAMEN1
SCHEMBL115126 0.71 PDE4B (0.38) KDM4ERCE1SMN1; SMN2LMNAALDH1A1
SCHEMBL115148 0.70 MEN1 (0.40) KDM4ERCE1SMN1; SMN2LMNAMEN1
SCHEMBL115264 0.70 PDE4B (0.36) KDM4ERCE1SMN1; SMN2RAB9ALMNA
SCHEMBL113787 0.70 PDE4B (0.36) KDM4ERCE1SMN1; SMN2MAPTMEN1

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 3502/4885ADORA2A 1922/4885

“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.