SCHEMBL3324985

SCHEMBL3324985

O=Cc1cc2c(c(F)c1F)OCCN2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 2/20 0.33
FABP6 P51161 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL12116976 0.75 ALDH1A1 (0.42) ARALDH1A1GAAHSD17B10FABP6
SCHEMBL3324851 0.74 ALDH1A1 (0.43) ARALDH1A1GAAHSD17B10FABP6
SCHEMBL3328643 0.74 AR (0.35) ARALDH1A1GAAHSD17B10FABP6
SCHEMBL28022679 0.72 PARP1 (0.34)
SCHEMBL29669458 0.71 PARP1 (0.42)
SCHEMBL13406785 0.71 EGFR (0.39) ARALDH1A1GAAHSD17B10MAPT
SCHEMBL3327484 0.71 ADORA2A (0.33) ARALDH1A1GAAHSD17B10MAPT
SCHEMBL2361983 0.67 ALDH1A1 (0.37) ARALDH1A1GAAHSD17B10FABP6
SCHEMBL30542818 0.67 EGFR (0.41) ARALDH1A1GAAHSD17B10FABP6
SCHEMBL11077788 0.67 EGFR (0.41) ARALDH1A1GAAHSD17B10FABP6

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 9 patents. 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
US-8389524-B2 Tricyclic nitrogen containing compounds as antibacterial agents GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
EP-2137196-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-06 EP disclosed
US-20100137282-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-06-03 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-20200330462-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 AR 1729/4885ALDH1A1 2255/4885GAA 2104/4885
US-20100137282-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS ZYX, NRDC, NAA50 AR 3852/4885ALDH1A1 4522/4885GAA 2841/4885
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE AR 795/4885ALDH1A1 300/4885GAA 652/4885
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 AR 905/4885ALDH1A1 1200/4885GAA 1534/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 AR 1729/4885ALDH1A1 2255/4885GAA 2104/4885

“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.