SCHEMBL13588776

SCHEMBL13588776

CC(C)C(=O)CNc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
RAB9A P51151 2/20 0.45
MDM2 Q00987 1/20 0.44
GAA P10253 1/20 0.41
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 3/20 0.41
BCHE P06276 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
GRK2 P25098 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL13588770 0.82 FDPS (0.44) FDPSRAB9AMDM2ROCK2ROCK1
SCHEMBL8351920 0.81 GAA (0.48) RAB9AGAALMNAALDH1A1KDM4E
SCHEMBL13588767 0.80 RAB9A (0.48) RAB9ALMNAALDH1A1TP53SMN1; SMN2
SCHEMBL9911482 0.79 GAA (0.46) FDPSRAB9AMDM2GAAROCK2
SCHEMBL13589463 0.79 MDM2 (0.48) FDPSRAB9AMDM2GAAROCK2
SCHEMBL11481061 0.78 MDM2 (0.52) FDPSRAB9AMDM2GAAROCK2
SCHEMBL12380252 0.78 MEN1 (0.46) GAALMNAALDH1A1GRK2SMN1; SMN2
SCHEMBL6765899 0.76 BCHE (0.54) RAB9AMDM2ROCK2ROCK1BCHE
SCHEMBL7723775 0.76 BCHE (0.53) FDPSMDM2GAAROCK2BCHE
SCHEMBL20389264 0.76 GAA (0.49) FDPSRAB9AMDM2GAAROCK2

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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 FDPS 2739/4885RAB9A 4109/4885MDM2 3253/4885

“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.