SCHEMBL115155

SCHEMBL115155

CCOc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
PDE4B Q07343 1/20 0.35
PDE7A Q13946 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LYN P07948 1/20 0.35
SRC P12931 1/20 0.35
BTK Q06187 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 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
SCHEMBL115128 0.90 MEN1 (0.38) KDM4ESMN1; SMN2ALDH1A1HPGDPDE4B
SCHEMBL113857 0.90 ALDH1A1 (0.38) KDM4ESMN1; SMN2ALDH1A1HPGDSRC
SCHEMBL115271 0.90 KMT2A (0.35) KDM4ESMN1; SMN2ALDH1A1HPGDPDE4B
SCHEMBL113811 0.89 CASR (0.35) KDM4ESMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL115255 0.89 SMN1; SMN2 (0.34) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL115127 0.85 PDE4B (0.38) KDM4ESMN1; SMN2ALDH1A1HPGDPDE4B
SCHEMBL113779 0.83 HEXA (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDPDE4B
SCHEMBL113787 0.81 PDE4B (0.36) KDM4ESMN1; SMN2ALDH1A1HPGDPDE4B
SCHEMBL115148 0.81 MEN1 (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDPDE4B
SCHEMBL115264 0.81 PDE4B (0.36) KDM4ESMN1; SMN2ALDH1A1HPGDPDE4B

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.