SCHEMBL6169945

SCHEMBL6169945

CC[C@@H]1[C@H](N)CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.37
SCN5A Q14524 1/20 0.36
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
PMP22 Q01453 1/20 0.31
CACNA1F O60840 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
CACNA1D Q01668 1/20 0.30
CACNA1S Q13698 1/20 0.30
CACNA1C Q13936 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PIM1 P11309 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
PIM3 Q86V86 1/20 0.30
CSNK1G1 Q9HCP0 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
SCHEMBL8575693 0.91 SCN5A (0.39) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL8572107 0.91 SCN5A (0.39) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL8572102 0.91 SCN5A (0.39) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL8572099 0.91 SCN5A (0.39) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL8577579 0.91 SCN5A (0.39) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL9052877 0.90 KCNH2 (0.38) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL9052874 0.90 KCNH2 (0.38) KCNH2SCN5AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7500649 0.90 SCN5A (0.39) KCNH2SCN5AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7500362 0.90 SCN5A (0.39) KCNH2SCN5AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7502658 0.90 SCN5A (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US claimed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP claimed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US claimed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO claimed

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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KCNH2 1547/4885SCN5A 847/4885KDM4E 4329/4885

“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.