SCHEMBL3619610

SCHEMBL3619610

O=C(O)NC1CCN(C[C@@H]2CSc3c(F)cnc4ccc(=O)n2c34)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.39
TOP2A P11388 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SIGMAR1 Q99720 4/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32

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 SCHEMBL3611995 0.84 KCNH2 (0.37) KCNH2TOP2A
SCHEMBL3611170 0.83 KCNH2 (0.41) KCNH2TOP2AL3MBTL1SIGMAR1KMT2A
SCHEMBL3620020 0.83 KCNH2 (0.41) KCNH2TOP2AL3MBTL1SIGMAR1KMT2A
SCHEMBL3615696 0.78 KCNH2 (0.67) KCNH2TOP2A
Hydrochloric Acid SCHEMBL3617871 0.78 KCNH2 (0.66) KCNH2TOP2A
Fumaric Acid SCHEMBL3617598 0.77 KCNH2 (0.58) KCNH2TOP2A
Fumaric Acid SCHEMBL3617596 0.77 KCNH2 (0.58) KCNH2TOP2A
SCHEMBL3607101 0.77 KCNH2 (0.64) KCNH2TOP2A
SCHEMBL3614656 0.76 TOP2A (0.36) KCNH2TOP2ASIGMAR1
SCHEMBL3542968 0.76 KCNH2 (0.62) KCNH2L3MBTL1SIGMAR1

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 78/4885L3MBTL1 2051/4885

“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.