SCHEMBL910359

SCHEMBL910359

O=C1CSc2cn[c]cc2N1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.44
MAOA P21397 8/20 0.44
EPHX2 P34913 1/20 0.44
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HTT P42858 1/20 0.40
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
KMT2A Q03164 1/20 0.38
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL590514 0.70 MAOB (0.49) MAOBMAOAEPHX2CYP11B1CYP11B2
SCHEMBL3065100 0.69 EPHX2 (0.56) MAOBMAOAEPHX2CYP11B1CYP11B2
SCHEMBL1148132 0.69 MAOB (0.47) MAOBMAOAEPHX2CYP11B1CYP11B2
SCHEMBL13771103 0.69 EPHX2 (0.56) MAOBMAOAEPHX2CYP11B1CYP11B2
SCHEMBL2767068 0.69 MAOB (0.40) MAOBMAOAEPHX2CYP11B1CYP11B2
SCHEMBL3062255 0.69 MAOB (0.47) MAOBMAOAEPHX2CYP11B1CYP11B2
SCHEMBL4102942 0.67 CYP11B1 (0.56) MAOBMAOAEPHX2CYP11B1CYP11B2
SCHEMBL7998823 0.67 MAOB (0.53) MAOBMAOAEPHX2CYP11B1CYP11B2
SCHEMBL910295 0.67 MMP12 (0.44) CYP11B1CYP11B2PDE3BPDE3AKMT2A
SCHEMBL3073801 0.66 MAOB (0.55) MAOBMAOAEPHX2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US claimed
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP claimed
EP-1549156-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT Investigacion Y Nutricion, S.L. (ES) 2005-07-06 EP claimed
WO-2004014361-A9 AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2004-04-08 WO claimed
WO-2004014150-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT INVESTIGACION Y NUTRICION, S.L. (ES) 2004-02-19 WO claimed
US-11882840-B1 Foliar spraying of curcuma longa plants with chlorella vulgaris algae aquatic extract improved growth and curcuminoid accumulation King Faisal University (SA) 2024-01-30 US disclosed
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
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO disclosed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP disclosed
WO-2003064421-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-07 WO disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 WO disclosed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 WO disclosed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 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 (4 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 MAOB 77/4885MAOA 91/4885EPHX2 2506/4885
US-10702521-B2 Methods for treating neisseria gonorrhoeae infection with substituted 1,2-dihydro-2A,5,8A-triazaacenaphthylene-3,8-diones DHPS, HSD17B11, GNE MAOB 269/4885MAOA 274/4885EPHX2 714/4885
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 MAOB 307/4885MAOA 435/4885EPHX2 1503/4885
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 MAOB 77/4885MAOA 91/4885EPHX2 2506/4885

“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.