SCHEMBL17494440

SCHEMBL17494440

N#Cc1c(N2CC[C@H](OC(N)=O)C2)c(F)cc2ccc(=O)n(C3CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.49
SCN5A Q14524 1/20 0.36
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
USP30 Q70CQ3 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17494442 1.00 KCNH2 (0.49) KCNH2SCN5ADPP4DPP8DPP9
SCHEMBL17494462 0.85 KCNH2 (0.36) KCNH2SCN5AALDH1A1POLBCHRM2
SCHEMBL17494459 0.85 KCNH2 (0.36) KCNH2SCN5AALDH1A1POLBCHRM2
SCHEMBL17494207 0.84 KCNH2 (0.54) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL17494206 0.84 KCNH2 (0.54) KCNH2ALDH1A1POLBCHRM2CHRM1
Hydrochloric Acid SCHEMBL19179918 0.83 KCNH2 (0.53) KCNH2ALDH1A1POLBCHRM2CHRM1
SCHEMBL19194962 0.82 KCNH2 (0.54) KCNH2SCN5AALDH1A1
SCHEMBL19200972 0.78 KCNH2 (0.45) KCNH2DPP4OPRM1OPRD1
SCHEMBL17494332 0.72 KCNH2 (0.50) KCNH2
SCHEMBL19182026 0.71 KCNH2 (0.49) 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 1288/4885DPP4 734/4885
US-10160726-B2 Quinolone derivatives as antibacterials TOP1, NQO2, TOP2A KCNH2 3467/4885SCN5A 1288/4885DPP4 734/4885

“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.