SCHEMBL910408

SCHEMBL910408

O=C1CSc2ccc(CNC3CCN(CC4CCn5c(=O)cnc6ccc(=O)n4c65)CC3)nc2N1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.48
TOP2A P11388 1/20 0.46
KCNQ1 P51787 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
Hydrochloric Acid SCHEMBL910252 0.99 KCNH2 (0.47) KCNH2TOP2AKCNQ1CACNA1C
SCHEMBL3327806 0.91 TOP2A (0.57) KCNH2TOP2AKCNQ1CACNA1C
SCHEMBL21372219 0.91 TOP2A (0.57) KCNH2TOP2AKCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3324716 0.90 TOP2A (0.56) KCNH2TOP2AKCNQ1CACNA1C
SCHEMBL2822659 0.81 KCNH2 (0.54) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL2822927 0.81 KCNH2 (0.54) KCNH2KCNQ1CACNA1C
SCHEMBL910410 0.78 KCNH2 (0.38) KCNH2
Hydrochloric Acid SCHEMBL910253 0.78 KCNH2 (0.38) KCNH2
SCHEMBL3548858 0.77 KCNH2 (0.62) KCNH2KCNQ1CACNA1C
SCHEMBL3547804 0.77 KCNH2 (0.74) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 US claimed
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 US disclosed
WO-2009087153-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2009-07-16 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 (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-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 KCNH2 3726/4885TOP2A 96/4885KCNQ1 4268/4885

“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.