SCHEMBL14747792

SCHEMBL14747792

CCCCOC[C@@H](CO[Si](C)(C)C(C)(C)C)Nc1nc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 19/20 0.41
GSR P00390 1/20 0.41
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL10155200 0.84 TXNRD1 (0.45) TXNRD1GSRLMNAPOLB
SCHEMBL335618 0.84 TXNRD1 (0.42) TXNRD1
SCHEMBL14747790 0.84 KCNH2 (0.33)
SCHEMBL16474075 0.80
SCHEMBL14747791 0.77 ALDH1A1 (0.31) LMNAPOLB
SCHEMBL3404683 0.75 TXNRD1 (0.42) TXNRD1GSRLMNA
SCHEMBL335995 0.72 TXNRD1 (0.49) TXNRD1GSR
SCHEMBL29325261 0.69 TXNRD1 (0.40) TXNRD1GSR
SCHEMBL27218067 0.69 TXNRD1 (0.57) TXNRD1GSR
SCHEMBL9042043 0.68 TXNRD1 (0.57) TXNRD1GSRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO disclosed
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

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

For each of this compound's patents that has machine-readable text (1 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-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 TXNRD1 293/4885GSR 281/4885LMNA 2206/4885

“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.