SCHEMBL115139

SCHEMBL115139

CCn1cc2c(O)c(-c3ccccc3C)c(=O)n(CC)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
RCE1 Q9Y256 1/20 0.42
METAP2 P50579 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASR P41180 1/20 0.38
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 4/20 0.37
BRD4 O60885 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL115357 0.89 BRD4 (0.39) KDM4ERCE1SMN1; SMN2ALDH1A1HPGD
SCHEMBL115298 0.89 METAP2 (0.35) KDM4ERCE1METAP2SMN1; SMN2ALDH1A1
SCHEMBL115266 0.89 METAP2 (0.35) KDM4ERCE1METAP2SMN1; SMN2ALDH1A1
SCHEMBL115176 0.88 KDM4E (0.42) KDM4ERCE1METAP2SMN1; SMN2ALDH1A1
SCHEMBL115070 0.75 KDM4E (0.37) KDM4ERCE1METAP2SMN1; SMN2ALDH1A1
SCHEMBL115304 0.75 KDM4E (0.37) KDM4ERCE1METAP2SMN1; SMN2ALDH1A1
SCHEMBL115126 0.74 PDE4B (0.38) KDM4ERCE1METAP2SMN1; SMN2ALDH1A1
SCHEMBL115127 0.74 PDE4B (0.38) KDM4ERCE1METAP2SMN1; SMN2ALDH1A1
SCHEMBL115199 0.74 HPGD (0.44) KDM4ERCE1METAP2SMN1; SMN2ALDH1A1
SCHEMBL115080 0.74 METAP2 (0.43) METAP2CASRBRD4

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 3502/4885METAP2 2747/4885

“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.