SCHEMBL569960

SCHEMBL569960

[c]1nnc(-c2ccco2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.48
RAB9A P51151 10/20 0.48
POLB P06746 4/20 0.48
APAF1 O14727 1/20 0.48
NSD2 O96028 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
KDM4E B2RXH2 12/20 0.46
ALDH1A1 P00352 12/20 0.46
HPGD P15428 11/20 0.46
HSD17B10 Q99714 9/20 0.46
MAPT P10636 5/20 0.43
PKM P14618 3/20 0.43
ALOX15 P16050 3/20 0.43
MEN1 O00255 2/20 0.43
CASP1 P29466 2/20 0.43
PTPN7 P35236 2/20 0.43
RECQL P46063 2/20 0.43

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
SCHEMBL189204 0.68 HSD17B10 (0.43) NPC1RAB9APOLBAPAF1NSD2
SCHEMBL27682033 0.67 NPC1 (0.52) NPC1RAB9APOLBAPAF1NSD2
SCHEMBL1799678 0.67 ALDH1A1 (0.63) NPC1RAB9APOLBAPAF1NSD2
SCHEMBL13528571 0.66 NPC1 (1.00) NPC1RAB9APOLBAPAF1NSD2
Methane SCHEMBL28269986 0.65 NOTUM (0.50) NPC1RAB9APOLBAPAF1NSD2
SCHEMBL9454066 0.65 HSD17B10 (0.45) NPC1RAB9APOLBAPAF1NSD2
SCHEMBL9195791 0.65 ALDH1A1 (0.45) NPC1RAB9APOLBAPAF1NSD2
SCHEMBL13528568 0.64 ALDH1A1 (0.68) NPC1RAB9APOLBAPAF1NSD2
SCHEMBL1852694 0.64 NPC1 (0.59) NPC1RAB9APOLBAPAF1NSD2
SCHEMBL2516355 0.64 NPC1 (0.59) NPC1RAB9APOLBAPAF1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102725287-A 1,3, 4-oxadiazole-2-carboxamide compounds PHARMA IP GENERAL INC ASS 2012-10-10 CN claimed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP claimed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US claimed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US claimed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO claimed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US claimed
EP-1664003-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 EP claimed
WO-2005028454-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO claimed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 US claimed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO claimed
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP claimed
US-9884863-B2 STAT3 inhibitor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-06 US disclosed
US-20170152288-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY NOVALIX DEUTSCHLAND GMBH (DE) 2017-06-01 US disclosed
US-20170152260-A1 STAT3 INHIBITOR BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-01 US disclosed
US-9562002-B2 STAT3 inhibitor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-02-07 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
US-4201779-A 7[(2-Amino-thiazol-4-yl)glyoxylamido]-cephem derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 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-20170152260-A1 STAT3 INHIBITOR STAT3, STAT1, STAT4 NPC1 3798/4885RAB9A 3926/4885POLB 3005/4885
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L NPC1 1321/4885RAB9A 609/4885POLB 1382/4885
US-20170152288-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY FCGR1A, FCGR2A, FCGR3B NPC1 4079/4885RAB9A 3306/4885POLB 4313/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS NPC1 284/4885RAB9A 1368/4885POLB 2183/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE NPC1 123/4885RAB9A 978/4885POLB 1725/4885

“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.