SCHEMBL17494346

SCHEMBL17494346

CCOC(=O)c1cc2cc(F)c(N3CCC([C@H](C)NC(=O)OC(C)(C)C)C3)c(C)c2n(C2CC2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.53
SCN5A Q14524 2/20 0.51
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CACNA1C Q13936 1/20 0.37

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
SCHEMBL17494254 1.00 KCNH2 (0.53) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL17494427 1.00 KCNH2 (0.53) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL17494265 0.93 KCNH2 (0.45) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL17494262 0.93 KCNH2 (0.45) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL17494388 0.92 SCN5A (0.59) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL17494260 0.92 SCN5A (0.59) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL17494258 0.92 SCN5A (0.59) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL19194881 0.88 KCNH2 (0.56) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL19195317 0.87 KCNH2 (0.55) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL17494313 0.87 KCNH2 (0.53) KCNH2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160726-B2 Quinolone derivatives as antibacterials NOVARTIS AG (CH) 2018-12-25 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
EP-3177593-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS Novartis AG (CH) 2017-06-14 EP disclosed
WO-2016020836-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS NOVARTIS AG (CH) 2016-02-11 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 (2 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-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS TOP1, NQO2, TOP2A KCNH2 3467/4885SCN5A 1288/4885CYP1A2 139/4885
US-10160726-B2 Quinolone derivatives as antibacterials TOP1, NQO2, TOP2A KCNH2 3467/4885SCN5A 1288/4885CYP1A2 139/4885

“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.