SCHEMBL1898900

SCHEMBL1898900

O=c1[nH]c2cc3ccccc3cc2nc1-c1cccs1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.72
RAB9A P51151 4/20 0.72
HSD17B10 Q99714 2/20 0.72
LMNA P02545 1/20 0.72
GLA P06280 1/20 0.72
CASP1 P29466 1/20 0.72
CASP7 P55210 1/20 0.72
RPS6KB2 Q9UBS0 3/20 0.62
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.50
POLB P06746 3/20 0.50
PABPC1 P11940 1/20 0.50
STK33 Q9BYT3 4/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46

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
SCHEMBL2135032 0.84 LMNA (0.66) NPC1RAB9AHSD17B10LMNAGLA
SCHEMBL1509112 0.84 RAB9A (1.00) NPC1RAB9AHSD17B10LMNAGLA
SCHEMBL30026859 0.84 RAB9A (1.00) NPC1RAB9AHSD17B10LMNAGLA
Hydrochloric Acid SCHEMBL30418554 0.82 RAB9A (0.97) NPC1RAB9AHSD17B10LMNAGLA
SCHEMBL692427 0.81 RAB9A (0.68) NPC1RAB9AHSD17B10LMNAGLA
SCHEMBL1903735 0.81 NPC1 (0.68) NPC1RAB9AHSD17B10LMNAGLA
SCHEMBL1901859 0.81 NPC1 (0.68) NPC1RAB9AHSD17B10LMNAGLA
SCHEMBL1903037 0.81 NPC1 (0.68) NPC1RAB9AHSD17B10LMNAGLA
SCHEMBL1902708 0.80 HSD17B10 (0.64) NPC1RAB9AHSD17B10LMNAGLA
SCHEMBL1900702 0.80 RPS6KB2 (0.67) NPC1RAB9AHSD17B10LMNAGLA

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 16 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
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 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 2638/4885HSD17B10 825/4885
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, CTSC NPC1 368/4885RAB9A 2677/4885HSD17B10 818/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN NPC1 398/4885RAB9A 2638/4885HSD17B10 825/4885
US-20080152622-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN NPC1 398/4885RAB9A 2638/4885HSD17B10 825/4885

“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.