SCHEMBL5065719

SCHEMBL5065719

CC(C)(C)N(CC(O)c1ccncc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 2/20 0.39
AOC3 Q16853 2/20 0.37
KDM4E B2RXH2 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
BLM P54132 1/20 0.35
CYP1A2 P05177 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
SCHEMBL1527256 0.85 AOC3 (0.51) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5069157 0.85 AOC3 (0.51) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5069152 0.85 AOC3 (0.51) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8647625 0.83 TAAR1 (0.42) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL28473074 0.83 TAAR1 (0.42) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5065117 0.82 SMN1; SMN2 (0.44) CYP51A1SMN1; SMN2L3MBTL1LMNAADRB1
SCHEMBL15812308 0.81 AOC3 (0.53) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL17371937 0.75 MEN1 (0.50) MEN1KMT2ASMN1; SMN2HTTL3MBTL1
SCHEMBL5065739 0.75 KYNU (0.50) AOC3KDM4EMEN1KMT2ALMNA
SCHEMBL4347700 0.75 ANPEP (0.40) MEN1KMT2AHTTL3MBTL1CYP2C9

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-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 CYP51A1 1512/4885AOC3 4778/4885KDM4E 2078/4885

“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.