SCHEMBL17494459

SCHEMBL17494459

N#Cc1c(N2CC[C@H](OC(N)=O)C2)c(F)cc2c(O)cc(=O)n(C3CC3)c12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
SCN5A Q14524 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
SCHEMBL17494462 1.00 KCNH2 (0.36) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL17494442 0.85 KCNH2 (0.49) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL17494440 0.85 KCNH2 (0.49) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL19195418 0.83 KCNH2 (0.39) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL19200526 0.79 CTSK (0.43)
SCHEMBL19179832 0.74 KCNH2 (0.45) KCNH2SCN5A
SCHEMBL17494387 0.72 ALDH1A1 (0.42) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL17494385 0.72 ALDH1A1 (0.42) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL19181087 0.70 KCNH2 (0.45) KCNH2SCN5A
SCHEMBL19181088 0.70 KCNH2 (0.45) 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 3467/4885ALDH1A1 1836/4885POLB 45/4885
US-10160726-B2 Quinolone derivatives as antibacterials TOP1, NQO2, TOP2A KCNH2 3467/4885ALDH1A1 1836/4885POLB 45/4885

“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.