SCHEMBL6168656

SCHEMBL6168656

CO[C@H]1C[C@H](N)CN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.37
KCNH2 Q12809 5/20 0.35
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
TOP1 P11387 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PIM3 Q86V86 4/20 0.31
PIM1 P11309 3/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CSNK1G1 Q9HCP0 1/20 0.31
RPS6KB1 P23443 1/20 0.31
MATK P42679 1/20 0.31

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
SCHEMBL6171594 1.00 SCN5A (0.37) SCN5AKCNH2ALDH1A1POLBCHRM2
SCHEMBL8565386 0.91 SCN5A (0.41) SCN5AKCNH2ALDH1A1POLBCHRM2
Hydrochloric Acid SCHEMBL7501604 0.90 SCN5A (0.41) SCN5AKCNH2ALDH1A1POLBCHRM2
SCHEMBL6170904 0.88 SCN5A (0.39) SCN5AKCNH2ALDH1A1POLBCHRM2
SCHEMBL6170804 0.88 SCN5A (0.39) SCN5AKCNH2ALDH1A1POLBCHRM2
Hydrochloric Acid SCHEMBL6475247 0.87 SCN5A (0.38) SCN5AKCNH2ALDH1A1POLBCHRM2
SCHEMBL8566581 0.86 SCN5A (0.38) SCN5AKCNH2ALDH1A1POLBCHRM2
Abt-719 SCHEMBL8569278 0.86 ALDH1A1 (0.46) SCN5AKCNH2ALDH1A1POLBCHRM2
Abt-719 SCHEMBL1290190 0.86 ALDH1A1 (0.46) SCN5AKCNH2ALDH1A1POLBCHRM2
Abt-719 SCHEMBL1290350 0.86 ALDH1A1 (0.46) SCN5AKCNH2ALDH1A1POLBCHRM2

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 SCN5A 847/4885KCNH2 1547/4885ALDH1A1 2739/4885

“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.