SCHEMBL20549526

SCHEMBL20549526

C[C@H]1COc2c(N3CC4CC4(N)C3)ccc3cc(C(=O)O)c(=O)n1c23

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.75
SCN5A Q14524 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
KDM4E B2RXH2 5/20 0.35
KMT2A Q03164 1/20 0.35
AADAT Q8N5Z0 2/20 0.32
LMNA P02545 1/20 0.32
TOP2A P11388 4/20 0.31
TOP2B Q02880 4/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALB P02768 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
TUBB4A P04350 1/20 0.30
POLB P06746 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 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
SCHEMBL20549484 0.86 KCNH2 (1.00) KCNH2SCN5AKDM4EKMT2AAADAT
SCHEMBL20549959 0.84 KCNH2 (0.56) KCNH2SCN5AKDM4EKMT2AAADAT
SCHEMBL20549307 0.79 KCNH2 (0.55) KCNH2SCN5APDE3BPDE3AKDM4E
SCHEMBL20549895 0.78 KCNH2 (0.72) KCNH2SCN5AKDM4EKMT2AAADAT
SCHEMBL20549897 0.78 KCNH2 (0.72) KCNH2SCN5AKDM4EKMT2AAADAT
SCHEMBL20549381 0.78 KCNH2 (0.64) KCNH2SCN5AKDM4EKMT2AAADAT
SCHEMBL20549317 0.75 KCNH2 (0.57) KCNH2KDM4EKMT2AAADATTOP2A
Hydrochloric Acid SCHEMBL20549503 0.72 KCNH2 (0.43) KCNH2SCN5APDE3BPDE3AKDM4E
SCHEMBL20549945 0.72 KCNH2 (0.73) KCNH2SCN5AKDM4EKMT2AAADAT
SCHEMBL20549202 0.69 KCNH2 (0.50) KCNH2SCN5AKDM4EKMT2AAADAT

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 1467/4885PDE3B 301/4885

“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.