SCHEMBL6170804

SCHEMBL6170804

Cc1c(N2C[C@H](C)C[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.39
KCNH2 Q12809 4/20 0.37
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
PIM3 Q86V86 2/20 0.34
PIM1 P11309 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CACNA1F O60840 1/20 0.33
MAPK1 P28482 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 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
SCHEMBL6170904 1.00 SCN5A (0.39) SCN5AKCNH2POLBALDH1A1CHRM2
Hydrochloric Acid SCHEMBL6475247 0.99 SCN5A (0.38) SCN5AKCNH2POLBALDH1A1CHRM2
SCHEMBL8565386 0.93 SCN5A (0.41) SCN5AKCNH2POLBALDH1A1CHRM2
Hydrochloric Acid SCHEMBL7501604 0.92 SCN5A (0.41) SCN5AKCNH2POLBALDH1A1CHRM2
Abt-719 SCHEMBL1290190 0.89 ALDH1A1 (0.46) SCN5AKCNH2POLBALDH1A1CHRM2
Abt-719 SCHEMBL1290350 0.89 ALDH1A1 (0.46) SCN5AKCNH2POLBALDH1A1CHRM2
Abt-719 SCHEMBL8569278 0.89 ALDH1A1 (0.46) SCN5AKCNH2POLBALDH1A1CHRM2
SCHEMBL6171594 0.88 SCN5A (0.37) SCN5AKCNH2POLBALDH1A1CHRM2
SCHEMBL6167792 0.88 KCNH2 (0.38) SCN5AKCNH2POLBALDH1A1CHRM2
SCHEMBL6168656 0.88 SCN5A (0.37) SCN5AKCNH2POLBALDH1A1CHRM2

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 1547/4885POLB 210/4885

“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.