SCHEMBL3090368

SCHEMBL3090368

Cn1c(=O)ccc2ncc(Cl)c(CCN3CCO[C@@H](CNCc4cc5c(cn4)OCS5)C3)c21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.44
SLC2A1 P11166 3/20 0.38
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL3262203 0.99 KCNH2 (0.44) KCNH2SLC2A1HDAC8HDAC6
SCHEMBL13839742 0.91 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL3113472 0.88 KCNH2 (0.48) KCNH2SLC2A1
SCHEMBL3100398 0.88 KCNH2 (0.48) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3113636 0.88 KCNH2 (0.48) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3102084 0.88 KCNH2 (0.48) KCNH2SLC2A1
SCHEMBL3099608 0.85 KCNH2 (0.46) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3100069 0.84 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL3090179 0.83 KCNH2 (0.61) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3110255 0.82 KCNH2 (0.60) KCNH2SLC2A1

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-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
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 2445/4885SLC2A1 4530/4885HDAC8 1033/4885

“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.