SCHEMBL19200321

SCHEMBL19200321

COc1c(N2CC[C@@H]([C@H](C)NCl)C2)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.54
SCN5A Q14524 1/20 0.52
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
PRKD3 O94806 1/20 0.44
ALOX15 P16050 1/20 0.44
OPRM1 P35372 1/20 0.44
CLK2 P49760 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TOP1 P11387 1/20 0.42
LMNA P02545 1/20 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
SCHEMBL19194830 0.90 KCNH2 (0.67) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL20590182 0.90 KCNH2 (0.67) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL20590181 0.90 KCNH2 (0.67) KCNH2SCN5AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL17494478 0.89 KCNH2 (0.66) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL19200423 0.89 SCN5A (0.53) KCNH2SCN5AALDH1A1POLBOPRM1
Hydrochloric Acid SCHEMBL17494482 0.89 KCNH2 (0.66) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL19200553 0.89 SCN5A (0.66) KCNH2SCN5A
SCHEMBL19200407 0.89 SCN5A (0.66) KCNH2SCN5A
SCHEMBL17494448 0.88 KCNH2 (0.49) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL17494445 0.88 KCNH2 (0.49) KCNH2SCN5AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 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-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS TOP1, NQO2, TOP2A KCNH2 3467/4885SCN5A 1288/4885KDM4E 1964/4885

“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.