SCHEMBL20549291

SCHEMBL20549291

COC[C@H]1COc2c(N3CC[C@@H](C4(N)CC4)C3)c(F)cc3cc(C(=O)O)c(=O)n1c23

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.62
KCNH2 Q12809 11/20 0.56
CYP3A4 P08684 1/20 0.37
AADAT Q8N5Z0 2/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALB P02768 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TUBB4A P04350 1/20 0.34
POLB P06746 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34

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 SCHEMBL20549497 0.97 SCN5A (0.59) SCN5AKCNH2CYP3A4AADATTOP2A
SCHEMBL20549565 0.91 SCN5A (0.65) SCN5AKCNH2CYP3A4AADATTOP2A
SCHEMBL20549492 0.91 SCN5A (0.63) SCN5AKCNH2AADATTOP2ATOP2B
SCHEMBL20549366 0.91 SCN5A (0.63) SCN5AKCNH2AADATTOP2ATOP2B
SCHEMBL20549499 0.90 KCNH2 (0.51) SCN5AKCNH2CYP3A4
Formic Acid SCHEMBL20549906 0.89 SCN5A (0.61) SCN5AKCNH2CYP3A4AADATTOP2A
Formic Acid SCHEMBL20549498 0.88 SCN5A (0.60) SCN5AKCNH2AADATTOP2ATOP2B
SCHEMBL20549576 0.87 KCNH2 (0.73) SCN5AKCNH2AADATTOP2ATOP2B
SCHEMBL20549945 0.87 KCNH2 (0.73) SCN5AKCNH2AADATTOP2ATOP2B
SCHEMBL20549586 0.87 KCNH2 (0.73) SCN5AKCNH2AADATTOP2ATOP2B

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 SCN5A 1467/4885KCNH2 2920/4885CYP3A4 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.