SCHEMBL910576

SCHEMBL910576

O=C1CNc2ccc(=O)n3c2N1CCC3CN1CCC(NCc2cc3c(cn2)OCCS3)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.44
SLC2A1 P11166 1/20 0.43
KCNH2 Q12809 15/20 0.40

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
SCHEMBL910512 1.00 TOP2A (0.44) TOP2ASLC2A1KCNH2
Hydrochloric Acid SCHEMBL910023 0.99 SLC2A1 (0.44) TOP2ASLC2A1KCNH2
Hydrochloric Acid SCHEMBL910102 0.99 SLC2A1 (0.44) TOP2ASLC2A1KCNH2
SCHEMBL909985 0.90 KCNH2 (0.49) TOP2ASLC2A1KCNH2
Hydrochloric Acid SCHEMBL910352 0.89 KCNH2 (0.49) TOP2ASLC2A1KCNH2
SCHEMBL910652 0.87 TOP2A (0.46) TOP2ASLC2A1KCNH2
SCHEMBL3725113 0.87 TOP2A (0.59) TOP2AKCNH2
SCHEMBL910716 0.87 TOP2A (0.59) TOP2AKCNH2
Hydrochloric Acid SCHEMBL909916 0.86 TOP2A (0.45) TOP2ASLC2A1KCNH2
Hydrochloric Acid SCHEMBL909842 0.86 TOP2A (0.58) 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 1 patent. 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

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.