SCHEMBL10285185

SCHEMBL10285185

Cc1cnc2c(c1)NC(=O)CS2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAOB P27338 4/20 0.41
MAOA P21397 3/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HPGD P15428 3/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL26386762 0.80 MAOB (0.39) EPHX2NPC1RAB9AMAOBMAOA
SCHEMBL19629987 0.80 MAOB (0.39) EPHX2NPC1RAB9AMAOBMAOA
SCHEMBL2123339 0.80 MAOA (0.41) EPHX2NPC1RAB9AMAOBMAOA
SCHEMBL13356540 0.80 MAOB (0.45) EPHX2NPC1RAB9AMAOBMAOA
SCHEMBL21400792 0.80 EPHX2 (0.40) EPHX2NPC1RAB9AMAOBMAOA
SCHEMBL25110146 0.80 KMT2A (0.43) EPHX2NPC1RAB9AMAOBMAOA
SCHEMBL2797763 0.78 MAOB (0.40) EPHX2NPC1RAB9AMAOBMAOA
SCHEMBL2925433 0.76 HTT (0.56) EPHX2NPC1RAB9AMAOBMAOA
SCHEMBL13356496 0.76 MAOB (0.39) EPHX2NPC1RAB9AMAOBMAOA
SCHEMBL23781329 0.76 HTT (0.46) EPHX2NPC1RAB9AMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458452-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION BUGWORKS RES INC (US) 2023-08-30 EP disclosed
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-07 US disclosed
WO-2017199265-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION BUGWORKS RESEARCH INDIA PVT LTD (IN) 2017-11-23 WO disclosed
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
EP-2137196-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-06 EP disclosed
EP-2001887-B1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2010-09-15 EP disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
WO-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed
WO-2010043714-A1 TRICYCLIC NITROGEN COMPOUNDS USED AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-22 WO disclosed
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed
WO-2008128942-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP 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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS EPHX2 4279/4885NPC1 1498/4885RAB9A 1856/4885
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 EPHX2 4192/4885NPC1 3550/4885RAB9A 1836/4885
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE EPHX2 714/4885NPC1 618/4885RAB9A 1577/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 EPHX2 4672/4885NPC1 3107/4885RAB9A 125/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 EPHX2 2506/4885NPC1 474/4885RAB9A 3148/4885

“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.