SCHEMBL8284161

SCHEMBL8284161

NC1(CN2C(=O)c3ccccc3C2=O)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
GLS O94925 1/20 0.41
ACHE P22303 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL14909935 0.91 ALDH1A1 (0.44) LMNAALDH1A1KMT2ACA12CA9
SCHEMBL28431297 0.78 LMNA (0.50) LMNAALDH1A1GAAHPGDKMT2A
SCHEMBL28432508 0.76 LMNA (0.48) LMNAKMT2AACHECYP1A2CYP2C9
SCHEMBL8283604 0.76 LMNA (0.48) LMNAALDH1A1GAAHPGDKMT2A
SCHEMBL13632832 0.76 LMNA (0.48) LMNAALDH1A1GAAHPGDKMT2A
SCHEMBL7847932 0.76 CA12 (0.49) LMNAALDH1A1GAAHPGDKMT2A
SCHEMBL7852187 0.74 LMNA (0.47) LMNAALDH1A1GAAHPGDKMT2A
SCHEMBL25336731 0.74 LMNA (0.45) LMNAALDH1A1GAAHPGDKMT2A
SCHEMBL30554691 0.74 LMNA (0.45) LMNAALDH1A1GAAHPGDKMT2A
SCHEMBL25959262 0.74 CA12 (0.46) LMNAALDH1A1GAAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 EP disclosed
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 US disclosed
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 WO 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-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB LMNA 3384/4885ALDH1A1 2164/4885GAA 1711/4885

“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.