SCHEMBL115176

SCHEMBL115176

CCn1c(=O)c(-c2ccccc2C)c(O)c2cn(C)nc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
RCE1 Q9Y256 1/20 0.42
CASR P41180 4/20 0.40
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
METAP2 P50579 1/20 0.39
GAA P10253 3/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.36
TACR1 P25103 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL115139 0.88 KDM4E (0.42) KDM4ERCE1CASRBRD4ALDH1A1
SCHEMBL113670 0.86 CASR (0.38) KDM4ECASRBRD4ALDH1A1SMN1; SMN2
SCHEMBL115080 0.86 METAP2 (0.43) CASRBRD4METAP2TACR1
SCHEMBL113668 0.86 CASR (0.38) CASRBRD4ALDH1A1TACR1
SCHEMBL115214 0.86 BRD4 (0.42) KDM4ECASRBRD4ALDH1A1SMN1; SMN2
SCHEMBL113740 0.80 KDM4E (0.42) KDM4ERCE1CASRBRD4ALDH1A1
SCHEMBL115357 0.79 BRD4 (0.39) KDM4ERCE1CASRBRD4ALDH1A1
SCHEMBL115298 0.77 METAP2 (0.35) KDM4ERCE1CASRBRD4ALDH1A1
SCHEMBL115266 0.77 METAP2 (0.35) KDM4ERCE1CASRBRD4ALDH1A1
SCHEMBL115199 0.77 HPGD (0.44) KDM4ERCE1CASRBRD4ALDH1A1

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 3502/4885CASR 4298/4885

“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.