SCHEMBL13619713

SCHEMBL13619713

CCOC(=O)CC(=O)C(CCC1CC1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.41
NOS2 P35228 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
CNR2 P34972 5/20 0.37
CNR1 P21554 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL13619709 0.87 MEN1 (0.52) GAAMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL13619592 0.83 SMN1; SMN2 (0.48) GAAMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL13619712 0.83 GAA (0.48) GAAMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL13619711 0.78 CYP2C19 (0.49) MEN1KMT2ACYP2C19LMNAKDM4E
SCHEMBL27103723 0.77 MEN1 (0.58) GAAMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL13658264 0.76 SMN1; SMN2 (0.53) GAAMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL17479485 0.73 MEN1 (0.46) GAAMEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL17073444 0.72 IDH1 (0.41) MEN1KMT2ACYP2C19KDM4EALDH1A1
SCHEMBL31067524 0.72 IDH1 (0.41) MEN1KMT2ACYP2C19KDM4EALDH1A1
SCHEMBL13620028 0.71 MEN1 (0.54) GAAMEN1KMT2ASMN1; SMN2NOS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF GAA 799/4885MEN1 4723/4885KMT2A 2735/4885

“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.