SCHEMBL20549484

SCHEMBL20549484

C[C@H]1COc2c(N3CC[C@@H](C4(N)CC4)C3)ccc3cc(C(=O)O)c(=O)n1c23

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 1.00
SCN5A Q14524 1/20 0.51
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
AADAT Q8N5Z0 2/20 0.33
TOP2A P11388 3/20 0.32
TOP2B Q02880 3/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALB P02768 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL20549526 0.86 KCNH2 (0.75) KCNH2SCN5AKDM4EKMT2AAADAT
SCHEMBL20549410 0.85 KCNH2 (0.83) KCNH2SCN5ACYP3A4KDM4EKMT2A
SCHEMBL20549966 0.84 KCNH2 (1.00) KCNH2SCN5ACYP3A4KDM4EKMT2A
SCHEMBL20549945 0.84 KCNH2 (0.73) KCNH2SCN5AKDM4EKMT2AAADAT
SCHEMBL20549586 0.84 KCNH2 (0.73) KCNH2SCN5AKDM4EKMT2AAADAT
SCHEMBL20549576 0.84 KCNH2 (0.73) KCNH2SCN5AKDM4EKMT2AAADAT
SCHEMBL20549895 0.84 KCNH2 (0.72) KCNH2SCN5ACYP3A4KDM4EKMT2A
SCHEMBL20549897 0.84 KCNH2 (0.72) KCNH2SCN5ACYP3A4KDM4EKMT2A
Hydrochloric Acid SCHEMBL20549549 0.84 KCNH2 (0.72) KCNH2SCN5AKDM4EKMT2AAADAT
Hydrochloric Acid SCHEMBL20549528 0.84 KCNH2 (0.72) KCNH2SCN5ACYP3A4KDM4EKMT2A

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.