SCHEMBL910511

SCHEMBL910511

O=c1cnc2ccc(=O)n3c2n1CC[C@H]3CN1CCC(NCc2cc3c(cn2)OCCS3)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.63
SLC2A1 P11166 2/20 0.50
KCNH2 Q12809 12/20 0.49

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
SCHEMBL910575 1.00 TOP2A (0.63) TOP2ASLC2A1KCNH2
Hydrochloric Acid SCHEMBL910101 0.99 TOP2A (0.62) TOP2ASLC2A1KCNH2
Hydrochloric Acid SCHEMBL910021 0.99 TOP2A (0.62) TOP2ASLC2A1KCNH2
SCHEMBL910651 0.97 TOP2A (0.68) TOP2ASLC2A1KCNH2
Hydrochloric Acid SCHEMBL909915 0.96 TOP2A (0.67) TOP2ASLC2A1KCNH2
SCHEMBL4442978 0.95 TOP2A (0.71) TOP2ASLC2A1KCNH2
SCHEMBL3333301 0.95 TOP2A (0.71) TOP2ASLC2A1KCNH2
Hydrochloric Acid SCHEMBL3330521 0.94 TOP2A (0.70) TOP2ASLC2A1KCNH2
SCHEMBL910407 0.93 TOP2A (0.60) TOP2ASLC2A1KCNH2
SCHEMBL910290 0.93 TOP2A (0.60) TOP2ASLC2A1KCNH2

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-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
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 TOP2A 96/4885SLC2A1 3904/4885KCNH2 3726/4885

“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.