SCHEMBL113740

SCHEMBL113740

CCn1c(=O)c(-c2ccccc2C)c(O)c2nn(C)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
RCE1 Q9Y256 1/20 0.42
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
BTK Q06187 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CASR P41180 2/20 0.38
GAA P10253 2/20 0.37
PTGES O14684 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
BRD4 O60885 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL115108 0.86 METAP2 (0.43) METAP2
SCHEMBL114971 0.86 PDE10A (0.35) ALDH1A1CNR1CNR2CASRBRD4
SCHEMBL116012 0.86 ADORA3 (0.36) KDM4ESMN1; SMN2CNR1CNR2CASR
SCHEMBL115124 0.86 LMNA (0.40) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL115176 0.80 KDM4E (0.42) KDM4ERCE1ALDH1A1SMN1; SMN2HPGD
SCHEMBL115102 0.77 HPGD (0.50) KDM4ERCE1ALDH1A1SMN1; SMN2HPGD
SCHEMBL115304 0.75 KDM4E (0.37) KDM4ERCE1ALDH1A1SMN1; SMN2HPGD
SCHEMBL115070 0.75 KDM4E (0.37) KDM4ERCE1ALDH1A1SMN1; SMN2HPGD
SCHEMBL115072 0.74 KDM4E (0.36) KDM4ERCE1ALDH1A1SMN1; SMN2HPGD
SCHEMBL115096 0.74 KDM4E (0.36) KDM4ERCE1ALDH1A1SMN1; SMN2HPGD

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 3502/4885ALDH1A1 274/4885

“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.