SCHEMBL335995

SCHEMBL335995

COc1ccc([N+](=O)[O-])c(NC(CO)CO)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 17/20 0.49
GSR P00390 1/20 0.43
MAPT P10636 3/20 0.43
S1PR4 O95977 2/20 0.43
S1PR1 P21453 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
HTT P42858 2/20 0.42
JAK2 O60674 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL10155200 0.85 TXNRD1 (0.45) TXNRD1GSRMAPTS1PR4S1PR1
SCHEMBL335220 0.84 TXNRD1 (0.47) TXNRD1MAPTS1PR4S1PR1MAPK1
SCHEMBL27218067 0.83 TXNRD1 (0.57) TXNRD1GSRMAPTS1PR4S1PR1
SCHEMBL5832744 0.81 TXNRD1 (0.46) TXNRD1GSRMAPTS1PR4S1PR1
SCHEMBL9794246 0.80 TXNRD1 (0.53) TXNRD1GSRMAPTS1PR4S1PR1
SCHEMBL11358233 0.79 TXNRD1 (0.50) TXNRD1GSRMAPTS1PR4S1PR1
SCHEMBL2306805 0.78 TXNRD1 (0.54) TXNRD1GSRMAPTS1PR4S1PR1
SCHEMBL13728587 0.78 MAPT (0.50) TXNRD1GSRMAPTS1PR4S1PR1
SCHEMBL3403683 0.77 TXNRD1 (0.57) TXNRD1GSRMAPTS1PR4S1PR1
SCHEMBL28489675 0.77 TXNRD1 (0.57) TXNRD1GSRMAPTS1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2022-01-25 US disclosed
US-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-22 US 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
EP-3639824-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-04-22 EP disclosed
EP-3182973-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE IP DEV LTD (GB) 2019-09-18 EP disclosed
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
EP-3182973-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-06-28 EP disclosed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141399-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141399-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
US-7044987-B2 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a monosubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2006-05-16 US disclosed
EP-1551806-A1 6-ALKOXY-2,3-DIAMINOPYRIDINE COUPLERS AND USE OF SAID COUPLERS FOR THE DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2005-07-13 EP disclosed
US-20050060814-A1 Novel 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a monosubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2005-03-24 US disclosed
EP-1515191-A2 Dual charge transport layer and photoconductive imaging member including the same Xerox Corporation (US) 2005-03-16 EP disclosed
WO-2004031152-A1 6-ALKOXY-2,3-DIAMINOPYRIDINE COUPLERS AND USE OF SAID COUPLERS FOR THE DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2004-04-15 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 (6 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-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 TXNRD1 293/4885GSR 281/4885MAPT 1672/4885
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE TXNRD1 1241/4885GSR 1233/4885MAPT 2757/4885
US-20050060814-A1 Novel 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a monosubstituted amino radical, and use of these couplers for dyeing keratin fibres KRT18, QDPR, PYCR1 TXNRD1 441/4885GSR 164/4885MAPT 1139/4885
US-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB TXNRD1 820/4885GSR 478/4885MAPT 1112/4885
US-11229646-B2 Method for treating gonorrhea with (2R)-2-({4-[(3,4-dihydro-2H-pyrano[2,3-C]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2A,5,8A-triazaacenaphthylene-3,8-dione GMPS, GNE, DHPS TXNRD1 1074/4885GSR 864/4885MAPT 2923/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 TXNRD1 293/4885GSR 281/4885MAPT 1672/4885

“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.