SCHEMBL115072

SCHEMBL115072

CCn1c(=O)c(-c2ccccc2C)c(O)c2ncoc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
RCE1 Q9Y256 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LYN P07948 1/20 0.35
SRC P12931 1/20 0.35
BTK Q06187 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TNFRSF1A P19438 1/20 0.33
BRD4 O60885 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
GAA P10253 2/20 0.33
CASR P41180 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
TP53 P04637 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
SCHEMBL116023 0.86 METAP2 (0.40) CYP1A2METAP2
SCHEMBL113677 0.86 KCNA3 (0.32) KDM4EALDH1A1HPGDBRD4GAA
SCHEMBL115140 0.86 SMN1; SMN2 (0.34) KDM4ESMN1; SMN2ALDH1A1HPGDBRD4
SCHEMBL116066 0.85 KCNA3 (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDBRD4
SCHEMBL115239 0.78 KDM4E (0.43) KDM4ERCE1SMN1; SMN2ALDH1A1HPGD
SCHEMBL115070 0.77 KDM4E (0.37) KDM4ERCE1SMN1; SMN2LYNSRC
SCHEMBL115096 0.76 KDM4E (0.36) KDM4ERCE1SMN1; SMN2LYNSRC
SCHEMBL115304 0.74 KDM4E (0.37) KDM4ERCE1SMN1; SMN2LYNSRC
SCHEMBL113740 0.74 KDM4E (0.42) KDM4ERCE1SMN1; SMN2LYNSRC
SCHEMBL115126 0.71 PDE4B (0.38) KDM4ERCE1SMN1; SMN2LYNSRC

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 3502/4885SMN1; SMN2 4450/4885

“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.