SCHEMBL20549231

SCHEMBL20549231

COc1c(N2CC[C@@H](C3(N)CC3)C2)c2c3c(cc(C(=O)OC=O)c(=O)n3[C@@H](C)CO2)c1N

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.55
SCN5A Q14524 1/20 0.38
CYP3A4 P08684 1/20 0.36
AADAT Q8N5Z0 2/20 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
Formic Acid SCHEMBL20549229 0.90 KCNH2 (0.64) KCNH2SCN5ACYP3A4AADAT
SCHEMBL20549590 0.85 KCNH2 (0.59) KCNH2SCN5ACYP3A4AADAT
SCHEMBL20549800 0.85 KCNH2 (0.58) KCNH2SCN5ACYP3A4
SCHEMBL20549569 0.79 KCNH2 (0.69) KCNH2SCN5ACYP3A4AADAT
Hydrochloric Acid SCHEMBL20549405 0.79 KCNH2 (0.62) KCNH2SCN5ACYP3A4AADAT
Hydrochloric Acid SCHEMBL20549816 0.79 KCNH2 (0.68) KCNH2SCN5ACYP3A4AADAT
Formic Acid SCHEMBL20549799 0.75 KCNH2 (0.67) KCNH2SCN5ACYP3A4AADAT
Hydrochloric Acid SCHEMBL20549818 0.75 KCNH2 (0.70) KCNH2SCN5ACYP3A4AADAT
SCHEMBL20549410 0.75 KCNH2 (0.83) KCNH2SCN5ACYP3A4AADAT
SCHEMBL20549439 0.74 KCNH2 (0.69) KCNH2SCN5ACYP3A4AADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-11-08 US 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-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS TOP1, TOP2A, TOP2B KCNH2 2920/4885SCN5A 1467/4885CYP3A4 291/4885

“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.