SCHEMBL3094554

SCHEMBL3094554

COc1ccc2ccc(=O)n(C)c2c1CCN1CCC(NCc2ccc3c(n2)NC(=O)CS3)CC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.47
KCNQ1 P51787 1/20 0.42
CACNA1C Q13936 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
SCHEMBL3100200 0.83 KCNH2 (0.52) KCNH2KCNQ1CACNA1C
SCHEMBL3110095 0.83 KCNH2 (0.48) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3095632 0.83 KCNH2 (0.52) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3109153 0.83 KCNH2 (0.48) KCNH2KCNQ1CACNA1C
SCHEMBL3101169 0.82 KCNH2 (0.47) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3110389 0.82 KCNH2 (0.47) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL6079657 0.77 KCNH2 (0.75) KCNH2
Hydrochloric Acid SCHEMBL5745032 0.77 KCNH2 (0.63) KCNH2
Hydrochloric Acid SCHEMBL5745037 0.77 KCNH2 (0.49) KCNH2KCNQ1CACNA1C
SCHEMBL13356497 0.76 KCNH2 (0.59) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 US claimed
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 US disclosed
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 US disclosed
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 US disclosed
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 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 (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-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials TOP1, TOP2A, NDC1 KCNH2 2445/4885KCNQ1 1098/4885CACNA1C 2413/4885

“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.