SCHEMBL6498976

SCHEMBL6498976

COc1c(N2CCC(CCO)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
TOP1 P11387 4/20 0.42

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
SCHEMBL6490336 0.93 KCNH2 (0.52) KCNH2TOP1
SCHEMBL1384477 0.90 KCNH2 (0.59) KCNH2TOP1
SCHEMBL14160482 0.90 KCNH2 (0.51) KCNH2TOP1
SCHEMBL6492803 0.90 KCNH2 (0.51) KCNH2TOP1
Hydrochloric Acid SCHEMBL4517172 0.89 KCNH2 (0.59) KCNH2TOP1
SCHEMBL14444912 0.87 KCNH2 (0.48) KCNH2TOP1
SCHEMBL1384056 0.86 KCNH2 (0.52) KCNH2TOP1
SCHEMBL6372385 0.86 KCNH2 (0.45) KCNH2TOP1
SCHEMBL1385092 0.85 KCNH2 (0.47) KCNH2TOP1
Hydrochloric Acid SCHEMBL4517768 0.85 KCNH2 (0.51) KCNH2TOP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119231-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-06-02 US claimed
US-20050119231-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-06-02 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-20050119231-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 KCNH2 2108/4885TOP1 3/4885

“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.