SCHEMBL1904092

SCHEMBL1904092

O=C(Cc1ccccc1)c1ccc2[nH]c(=O)c(-c3cccs3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
LMNA P02545 2/20 0.58
HSD17B10 Q99714 2/20 0.58
GLA P06280 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
SRPK1 Q96SB4 1/20 0.44
RPS6KB2 Q9UBS0 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACMSD Q8TDX5 3/20 0.42
STK33 Q9BYT3 8/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL5507978 0.85 NPC1 (0.64) NPC1RAB9ALMNAHSD17B10GLA
SCHEMBL1905757 0.85 NPC1 (0.55) NPC1RAB9ALMNAHSD17B10GLA
SCHEMBL16390944 0.85 HSD17B10 (0.55) NPC1RAB9ALMNAHSD17B10GLA
SCHEMBL1901883 0.83 NPC1 (0.56) NPC1RAB9ALMNAHSD17B10GLA
SCHEMBL1901815 0.81 CASP1 (0.64) NPC1RAB9ALMNAHSD17B10GLA
SCHEMBL6232942 0.79 NPC1 (0.58) NPC1RAB9ALMNAHSD17B10GLA
SCHEMBL1905773 0.79 RAB9A (0.55) NPC1RAB9ALMNAHSD17B10GLA
SCHEMBL1903147 0.78 NPC1 (0.64) NPC1RAB9ALMNAHSD17B10GLA
SCHEMBL1899706 0.77 HSD17B10 (0.59) NPC1RAB9ALMNAHSD17B10GLA
SCHEMBL1903037 0.77 NPC1 (0.68) NPC1RAB9ALMNAHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143727-B1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2015-01-21 EP disclosed
US-8236807-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-08-07 US disclosed
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS NAKAJIMA SUANNE 2010-01-21 US disclosed
EP-2143727-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2010-01-13 EP disclosed
EP-1615613-B1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2009-11-04 EP disclosed
US-7566719-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-20080152622-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC 2008-06-26 US disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
EP-1615613-A4 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-02-14 EP disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
EP-1615613-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2006-01-18 EP disclosed
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2004-12-30 US disclosed
WO-2004093798-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-11-04 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 (4 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-20100015092-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN NPC1 398/4885RAB9A 2638/4885LMNA 2324/4885
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, CTSC NPC1 368/4885RAB9A 2677/4885LMNA 2349/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN NPC1 398/4885RAB9A 2638/4885LMNA 2324/4885
US-20080152622-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN NPC1 398/4885RAB9A 2638/4885LMNA 2324/4885

“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.