SCHEMBL2947439

SCHEMBL2947439

CCOC(=O)c1cnc2ccc(OC)cc2c1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
ALDH1A1 P00352 6/20 0.62
HPGD P15428 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 3/20 0.62
KDM4E B2RXH2 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
NMT1 P30419 2/20 0.61
TP53 P04637 3/20 0.60
KMT2A Q03164 3/20 0.57
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 1/20 0.56
CLK1 P49759 1/20 0.56
GAA P10253 2/20 0.54
MEN1 O00255 2/20 0.54
THRB P10828 1/20 0.54
SLC2A1 P11166 1/20 0.54
NMT2 O60551 1/20 0.53
RAB9A P51151 1/20 0.53
MAPK1 P28482 1/20 0.52

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
SCHEMBL3830753 0.95 MAPT (0.60) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL29208291 0.90 MAPT (0.53) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL31603107 0.86 MAPT (0.63) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL620359 0.86 MAPT (0.63) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL544894 0.85 MAPT (0.62) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL438203 0.85 MAPT (0.62) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL30900718 0.85 MEN1 (0.64) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL27252854 0.85 MEN1 (0.64) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
Butane SCHEMBL3825261 0.84 MAPT (0.61) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL22395756 0.84 NMT2 (0.60) MAPTALDH1A1SMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094653-B1 O-SUBSTITUTED-DIBENZYL UREA-DERIVATIVES AS TRPV1 RECEPTOR ANTAGONISTS PHARMESTE SRL (IT) 2010-09-01 EP claimed
EP-2906216-B1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR AJAY (GB) 2020-06-24 EP disclosed
WO-2018172925-A1 INHIBITORS OF DNA GYRASE FOR TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PVT LTD (IN) 2018-09-27 WO disclosed
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US disclosed
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US disclosed
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-07-13 US disclosed
US-9643979-B2 Inhibitors of DNA gyrase for the treatment of bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-05-09 US disclosed
US-9643979-B2 Inhibitors of DNA gyrase for the treatment of bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-05-09 US disclosed
US-9643979-B2 Inhibitors of DNA gyrase for the treatment of bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-05-09 US disclosed
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR, AJAY, DR. (GB) 2015-10-08 US disclosed
US-20080139539-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
US-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli SMITHKLINE BEECHAM CORPORATION 2007-12-13 US disclosed
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
EP-1846411-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-24 EP disclosed
EP-1796466-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-06-20 EP disclosed
EP-1773831-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
WO-2006081289-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO disclosed
WO-2006014580-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-09 WO disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 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 (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-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli NPM1, TOP1, HMGB1 MAPT 4083/4885ALDH1A1 3450/4885HPGD 268/4885
US-20080139539-A1 Antibacterial Agents NQO2, NQO1, NRDC MAPT 4569/4885ALDH1A1 2845/4885HPGD 529/4885
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 MAPT 3965/4885ALDH1A1 3693/4885HPGD 322/4885
US-20070254872-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 MAPT 4561/4885ALDH1A1 2730/4885HPGD 178/4885
US-20170197935-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 MAPT 3965/4885ALDH1A1 3693/4885HPGD 322/4885

“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.