SCHEMBL3618356

SCHEMBL3618356

NCC1CN(C[C@@H]2COc3c(F)cnc4ccc(=O)n2c34)CCC1O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.35
TOP2A P11388 1/20 0.30
MTOR P42345 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL3620786 0.94 KCNH2 (0.33) KCNH2
SCHEMBL3615901 0.92 KCNH2 (0.32) KCNH2
SCHEMBL3617780 0.87 KCNH2 (0.37) KCNH2TOP2AMTOR
Hydrochloric Acid SCHEMBL3614515 0.86 KCNH2 (0.36) KCNH2TOP2AMTOR
SCHEMBL3610660 0.85 KCNH2 (0.34) KCNH2TOP2A
SCHEMBL3620789 0.84 KCNH2 (0.32) KCNH2
Trifluoroacetic Acid SCHEMBL3604465 0.82 DPP4 (0.35) KCNH2
Hydrochloric Acid SCHEMBL3611488 0.82 KCNH2 (0.38) KCNH2TOP2AMTOR
Hydrochloric Acid SCHEMBL3607827 0.82 KCNH2 (0.38) KCNH2TOP2AMTOR
SCHEMBL3618485 0.82 KCNH2 (0.36) KCNH2TOP2A

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 2914/4885TOP2A 78/4885MTOR 94/4885

“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.