SCHEMBL3278550

SCHEMBL3278550

C=Cc1c(Cl)ccc2ccc(OC)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.36
MTNR1B P49286 11/20 0.36
NFE2L2 Q16236 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HSP90AA1 P07900 2/20 0.31
JAK2 O60674 1/20 0.31
S1PR4 O95977 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TXNRD1 Q16881 1/20 0.31
HSP90AB1 P08238 1/20 0.31
HTR2C P28335 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
SCHEMBL14993394 0.81 PTGS2 (0.37) MTNR1AMTNR1BHSP90AA1TXNRD1HSP90AB1
SCHEMBL1712701 0.80 MTNR1A (0.35) MTNR1AMTNR1BHSP90AA1TXNRD1HSP90AB1
SCHEMBL3272172 0.78 KCNH2 (0.35) NFE2L2
SCHEMBL5263274 0.78 CSF1R (0.34) NFE2L2RAB9AHTTALDH1A1NPSR1
SCHEMBL3830822 0.78 CYP17A1 (0.33) SMN1; SMN2MAPK1NPSR1
SCHEMBL14400362 0.75 MTNR1A (0.40) MTNR1AMTNR1BHPGDTSHRSMN1; SMN2
SCHEMBL30492604 0.73 MTNR1A (0.44) MTNR1AMTNR1BRAB9AHTR2C
SCHEMBL16511925 0.73 MTNR1A (0.44) MTNR1AMTNR1BRAB9AHTR2C
SCHEMBL5365464 0.72 MTNR1A (0.46) MTNR1AMTNR1BNFE2L2RAB9AMAPT
SCHEMBL1712327 0.71 MTNR1A (0.43) MTNR1AMTNR1BNFE2L2SMN1; SMN2RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 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
WO-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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 (2 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 MTNR1A 133/4885MTNR1B 77/4885NFE2L2 331/4885
US-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG MTNR1A 1750/4885MTNR1B 1729/4885NFE2L2 400/4885

“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.