SCHEMBL115304

SCHEMBL115304

CCn1c(=O)c(-c2ccccc2C)c(O)c2nsnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RCE1 Q9Y256 1/20 0.36
LYN P07948 1/20 0.36
SRC P12931 1/20 0.36
BTK Q06187 1/20 0.36
CASR P41180 1/20 0.35
METAP2 P50579 2/20 0.34
TNF P01375 2/20 0.34
PDE4B Q07343 1/20 0.34
PDE7A Q13946 1/20 0.34
BRD4 O60885 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34

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
SCHEMBL115355 0.86 SMN1; SMN2 (0.34) KDM4ESMN1; SMN2ALDH1A1HPGDCASR
SCHEMBL115145 0.86 CASR (0.33) CASRTNFBRD4
SCHEMBL113860 0.85 BRD4 (0.38) KDM4ESMN1; SMN2ALDH1A1HPGDSRC
SCHEMBL115070 0.80 KDM4E (0.37) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL115127 0.77 PDE4B (0.38) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL115126 0.77 PDE4B (0.38) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL115096 0.77 KDM4E (0.36) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL113740 0.75 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL115176 0.75 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL115139 0.75 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1

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 525/4885SMN1; SMN2 4450/4885ALDH1A1 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.