SCHEMBL3355599

SCHEMBL3355599

Cc1cc(=O)n(CCN2CCC(N)C(F)C2)c2cc(C#N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.43
SCN7A Q01118 2/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM1A O60341 2/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
DPP4 P27487 1/20 0.34
KDM2B Q8NHM5 1/20 0.33

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
SCHEMBL3355208 0.87 KCNH2 (0.40) KCNH2SCN7AHRH2HRH1HRH3
SCHEMBL3383404 0.87 KCNH2 (0.40) KCNH2SCN7AHRH2HRH1HRH3
SCHEMBL3358891 0.87 KCNH2 (0.40) KCNH2SCN7AHRH2HRH1HRH3
SCHEMBL3353344 0.85 KCNH2 (0.48) KCNH2
SCHEMBL4441211 0.84 KCNH2 (0.57) KCNH2SCN7AHRH2HRH1HRH3
SCHEMBL3355195 0.84 KCNH2 (0.57) KCNH2SCN7AHRH2HRH1HRH3
SCHEMBL3353433 0.84 KCNH2 (0.57) KCNH2SCN7AHRH2HRH1HRH3
SCHEMBL3355824 0.84 KCNH2 (0.57) KCNH2SCN7AHRH2HRH1HRH3
Trifluoroacetic Acid SCHEMBL3355836 0.78 KCNH2 (0.52) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL4441819 0.77 KCNH2 (0.39) KCNH2SCN7ASCN5ASCN2ASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 US disclosed
EP-2121702-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008071961-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2008-06-19 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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 KCNH2 466/4885SCN7A 538/4885HRH2 161/4885

“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.