SCHEMBL706780

SCHEMBL706780

O=C1CSc2nc[c]cc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.37
MAOA P21397 9/20 0.37
EPHX2 P34913 1/20 0.37
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HTT P42858 1/20 0.33
CA2 P00918 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL3023276 0.75 NPC1 (0.30)
SCHEMBL2767068 0.72 MAOB (0.40) MAOBMAOAEPHX2GSK3AGSK3B
SCHEMBL7093159 0.70 CYP11B1 (0.39) MAOBMAOAEPHX2GSK3AGSK3B
SCHEMBL6080268 0.70 ALDH1A1 (0.46) MAOBMAOAEPHX2GSK3AGSK3B
SCHEMBL910195 0.68 MEN1 (0.35) GAAKMT2AMEN1
SCHEMBL26386762 0.68 MAOB (0.39) MAOBMAOAEPHX2GSK3AGSK3B
SCHEMBL10285185 0.68 EPHX2 (0.50) MAOBMAOAEPHX2GAAHTT
SCHEMBL19629987 0.68 MAOB (0.39) MAOBMAOAEPHX2GSK3AGSK3B
SCHEMBL2123339 0.68 MAOA (0.41) MAOBMAOAEPHX2GSK3AGSK3B
SCHEMBL590514 0.67 MAOB (0.49) MAOBMAOAEPHX2GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US claimed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP claimed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US claimed
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
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US claimed
EP-1888574-B1 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 EP claimed
US-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity ASTRAZENECA AB (SE) 2009-05-21 US claimed
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP claimed
US-20080280888-A1 Antibiotics Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-13 US claimed
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP claimed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US claimed
EP-1605938-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-12-21 EP claimed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 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-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 WO claimed
US-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 US claimed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO claimed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP 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
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20040198755-A1 Bicyclic nitrogen-containing heterocyclic derivatives for use as antibacterials NRDC, NUCB2, ASNS MAOB 901/4885MAOA 1416/4885EPHX2 4464/4885
US-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity AAAS, AMPD2, AMPD3 MAOB 1474/4885MAOA 1037/4885EPHX2 4324/4885
US-20080280888-A1 Antibiotics Derivatives NR4A1, NR2C2, NR4A3 MAOB 1079/4885MAOA 2201/4885EPHX2 2443/4885
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MAOB 1619/4885MAOA 1300/4885EPHX2 3647/4885
US-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG MAOB 3035/4885MAOA 2868/4885EPHX2 4649/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK MAOB 1619/4885MAOA 1300/4885EPHX2 3647/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS MAOB 2202/4885MAOA 2039/4885EPHX2 4146/4885

“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.