SCHEMBL1128699

SCHEMBL1128699

Clc1nc2ccccc2n1C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
PRKACA P17612 3/20 0.51
RPS6KB1 P23443 3/20 0.51
GSK3B P49841 3/20 0.51
ROCK1 Q13464 3/20 0.51
OGFRL1 Q5TC84 10/20 0.50
OPRM1 P35372 9/20 0.50
OPRK1 P41145 9/20 0.50
OPRD1 P41143 8/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HCAR1 Q9BXC0 1/20 0.49
OPRL1 P41146 1/20 0.46
CYP11B2 P19099 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45

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
SCHEMBL2635863 0.93 SMN1; SMN2 (0.53) TP53PRKACARPS6KB1GSK3BROCK1
SCHEMBL6598052 0.83 OPRM1 (0.52) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL6594414 0.82 OPRM1 (0.54) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL6594532 0.82 OPRM1 (0.54) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL6595311 0.82 OPRM1 (0.54) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL31267382 0.80 TP53 (0.54) TP53PRKACARPS6KB1GSK3BROCK1
SCHEMBL13543533 0.80 SMN1; SMN2 (0.44) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL3526098 0.80 SMN1; SMN2 (0.44) TP53OGFRL1OPRM1OPRK1OPRD1
SCHEMBL6593749 0.79 OPRM1 (0.53) OPRM1OPRK1OPRD1OPRL1
SCHEMBL2929873 0.79 RPS6KB1 (0.58) TP53PRKACARPS6KB1GSK3BROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
EP-2282762-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 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 (2 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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 TP53 1652/4885PRKACA 3191/4885RPS6KB1 531/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 TP53 1652/4885PRKACA 3191/4885RPS6KB1 531/4885

“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.