SCHEMBL3618485

SCHEMBL3618485

O=C(O)N[C@H]1CCN(C[C@@H]2COc3c(F)cnc4ccc(=O)n2c34)C[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.36
SLC2A1 P11166 1/20 0.33
TOP2A P11388 1/20 0.31
PARP1 P09874 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31

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
SCHEMBL3617297 1.00 KCNH2 (0.36) KCNH2SLC2A1TOP2APARP1UBE2M
SCHEMBL3611170 0.87 KCNH2 (0.41) KCNH2TOP2A
SCHEMBL3620020 0.87 KCNH2 (0.41) KCNH2TOP2A
SCHEMBL3616027 0.86 CNR1 (0.33) UBE2MDCUN1D1
SCHEMBL3609669 0.85 KCNH2 (0.33) KCNH2SLC2A1UBE2MDCUN1D1
Hydrochloric Acid SCHEMBL3614515 0.84 KCNH2 (0.36) KCNH2TOP2A
SCHEMBL3611471 0.84 RET (0.35) KCNH2SLC2A1
SCHEMBL3606693 0.84 RET (0.35) KCNH2SLC2A1
Trifluoroacetic Acid SCHEMBL3604465 0.83 DPP4 (0.35) KCNH2
SCHEMBL3613496 0.82 KCNH2 (0.34) 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 1 patent. 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 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.