SCHEMBL335220

SCHEMBL335220

COc1ccc([N+](=O)[O-])c(N[C@H](CO)COCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 17/20 0.47
MAPT P10636 2/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL335618 0.85 TXNRD1 (0.42) TXNRD1MAPTS1PR4S1PR1MAPK1
SCHEMBL335995 0.84 TXNRD1 (0.49) TXNRD1MAPTS1PR4S1PR1MAPK1
SCHEMBL10155200 0.82 TXNRD1 (0.45) TXNRD1MAPTS1PR4S1PR1MAPK1
SCHEMBL27218067 0.72 TXNRD1 (0.57) TXNRD1MAPTS1PR4S1PR1MAPK1
SCHEMBL2512829 0.71 MAPT (0.45) MAPTMAPK1RAB9A
SCHEMBL7681703 0.71 MAPT (0.52) TXNRD1MAPTS1PR4S1PR1MAPK1
SCHEMBL6175892 0.70 PIN1 (0.59) TXNRD1MAPTS1PR4S1PR1MAPK1
SCHEMBL10815147 0.70 GSK3B (0.55) TXNRD1MAPTS1PR4S1PR1MAPK1
SCHEMBL5832744 0.70 TXNRD1 (0.46) TXNRD1MAPTS1PR4S1PR1MAPK1
SCHEMBL13728587 0.70 MAPT (0.50) TXNRD1MAPTS1PR4S1PR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-8389524-B2 Tricyclic nitrogen containing compounds as antibacterial agents GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-20110071155-A1 Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials GLAXO GROUP LIMITED (GB) 2011-03-24 US disclosed
US-20100137282-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 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 (3 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-20100137282-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS ZYX, NRDC, NAA50 TXNRD1 1127/4885MAPT 2951/4885S1PR4 4067/4885
US-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB TXNRD1 820/4885MAPT 1112/4885S1PR4 3597/4885
US-20110071155-A1 Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials CBR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYCS TXNRD1 1588/4885MAPT 3336/4885S1PR4 4214/4885

“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.