SCHEMBL577465

SCHEMBL577465

COc1c[c]c(-c2cccs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.42
RAB9A P51151 10/20 0.42
MAPT P10636 8/20 0.42
KDM4E B2RXH2 3/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP1A2 P05177 2/20 0.40
PDE10A Q9Y233 1/20 0.40
MAOB P27338 2/20 0.40
GAA P10253 4/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL3941444 0.75 MEN1 (0.42) NPC1RAB9AMAPTKDM4EPKM
SCHEMBL27289634 0.73 ADORA2A (0.37) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL23951 0.72 MAPT (0.59) NPC1RAB9AMAPTKDM4EPKM
SCHEMBL27280809 0.71 RPS6KB2 (0.44) NPC1RAB9AMAPTKDM4EMEN1
Hydrogen Sulfide SCHEMBL29093271 0.71 MAPT (0.58) NPC1RAB9AMAPTKDM4EPKM
SCHEMBL28486325 0.71 MAPT (0.58) NPC1RAB9AMAPTKDM4EPKM
SCHEMBL29173072 0.71 MAPT (0.58) NPC1RAB9AMAPTKDM4EPKM
SCHEMBL6417992 0.71 CA4 (0.44) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL4462179 0.70 PDGFRB (0.43) NPC1RAB9AMAPTKDM4EPKM
SCHEMBL577843 0.70 FBP1 (0.42) NPC1RAB9APKMKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US claimed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US claimed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
US-9526769-B2 Macrocylic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2016-12-27 US disclosed
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
US-8268776-B2 mixture of cytochrome P450 monooxygenase inhibitor and protease inhibitor for anti-hepatitis C viral treatment; including other active drugs as interferon, ribavarin, and adamantine ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US disclosed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 WO disclosed
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2007-12-06 US disclosed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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 (8 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS NPC1 330/4885RAB9A 2189/4885MAPT 3146/4885
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN NPC1 657/4885RAB9A 4632/4885MAPT 4388/4885
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 NPC1 149/4885RAB9A 893/4885MAPT 2748/4885
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors HCCS, HPN, CYP3A4 NPC1 563/4885RAB9A 4325/4885MAPT 4456/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 NPC1 153/4885RAB9A 1939/4885MAPT 2534/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 NPC1 149/4885RAB9A 893/4885MAPT 2748/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 NPC1 679/4885RAB9A 1055/4885MAPT 4372/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NPC1 427/4885RAB9A 2215/4885MAPT 3077/4885

“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.