SCHEMBL3608989

SCHEMBL3608989

O=c1cnc2ccc(Cl)c3c2n1C(CN1CCC(NCc2cc4c(cn2)OCCO4)CC1)CO3

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.60
SLC2A1 P11166 1/20 0.56
TOP2A P11388 1/20 0.56

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 SCHEMBL3613808 0.99 KCNH2 (0.59) KCNH2SLC2A1TOP2A
SCHEMBL3606730 0.88 KCNH2 (0.68) KCNH2SLC2A1TOP2A
SCHEMBL3616805 0.88 KCNH2 (0.68) KCNH2SLC2A1TOP2A
SCHEMBL3604678 0.88 KCNH2 (0.59) KCNH2SLC2A1TOP2A
SCHEMBL13404487 0.88 KCNH2 (0.68) KCNH2SLC2A1TOP2A
Hydrochloric Acid SCHEMBL3613753 0.87 KCNH2 (0.67) KCNH2SLC2A1TOP2A
Hydrochloric Acid SCHEMBL3605867 0.87 KCNH2 (0.67) KCNH2SLC2A1TOP2A
Hydrochloric Acid SCHEMBL3620869 0.87 KCNH2 (0.67) KCNH2SLC2A1TOP2A
SCHEMBL3608084 0.87 KCNH2 (0.58) KCNH2SLC2A1TOP2A
SCHEMBL3600151 0.84 KCNH2 (0.43) KCNH2SLC2A1TOP2A

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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US claimed
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS KCNH2 2914/4885SLC2A1 4080/4885TOP2A 78/4885

“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.