SCHEMBL577971

SCHEMBL577971

COc1ccc2[c]nccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
NCF1 P14598 1/20 0.43
NQO1 P15559 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP11B2 P19099 5/20 0.39
CYP11B1 P15538 4/20 0.39
NPC1 O15118 3/20 0.39
CYP17A1 P05093 2/20 0.39
CYP19A1 P11511 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NQO2 P16083 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL577915 0.85 RAB9A (0.46) RAB9ACYP1A2CYP2A6NCF1NQO1
SCHEMBL577454 0.81 PDE3B (0.40) ALDH1A1KMT2AKDM4ELMNAPOLB
SCHEMBL3490092 0.76 ALDH1A1 (0.42) RAB9ACYP1A2ALDH1A1NPC1KDM4E
SCHEMBL2356812 0.75 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1MEN1KMT2A
SCHEMBL11723042 0.73 CYP2A6 (0.52) RAB9ACYP1A2CYP2A6NCF1NQO1
SCHEMBL206447 0.71 BACE1 (0.38) RAB9ACYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL206485 0.71 BACE1 (0.38) CYP1A2CYP2A6NPC1KDM4ETRPA1
SCHEMBL15512056 0.70 ALDH1A1 (0.35) RAB9ACYP1A2ALDH1A1MEN1KMT2A
SCHEMBL443070 0.70 CYP1A2 (0.79) RAB9ACYP1A2CYP2A6NCF1NQO1
SCHEMBL29447161 0.70 CYP1A2 (0.79) RAB9ACYP1A2CYP2A6NCF1NQO1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US claimed
US-7718769-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US claimed
US-7273851-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US claimed
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-07-12 US claimed
WO-2004113365-A9 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS 2006-03-23 WO claimed
US-20050261200-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-11-24 US claimed
WO-2004113365-A2 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-12-29 WO claimed
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors NAKAJIMA SUANNE (US) 2004-09-16 US claimed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-7273851-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
WO-2004113365-A9 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS 2006-03-23 WO disclosed
US-20050261200-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-11-24 US disclosed
WO-2004113365-A2 HEPATITIS C SERINE PROTEASE TRI-PEPTIDE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-12-29 WO disclosed
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors NAKAJIMA SUANNE (US) 2004-09-16 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 (5 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-20050261200-A1 Tri-peptide hepatitis C serine protease inhibitors PRSS1, VIP, HPN RAB9A 3149/4885CYP1A2 1652/4885CYP2A6 1129/4885
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 RAB9A 2961/4885CYP1A2 361/4885CYP2A6 265/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 RAB9A 2700/4885CYP1A2 1342/4885CYP2A6 583/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RAB9A 2215/4885CYP1A2 744/4885CYP2A6 1199/4885
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors PRSS1, VIP, HPN RAB9A 3149/4885CYP1A2 1652/4885CYP2A6 1129/4885

“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.