SCHEMBL20549374

SCHEMBL20549374

CC1Cc2c(N3CC[C@@H](C4(NC(=O)OC(C)(C)C)CC4)C3)c(F)cc3cc(C(=O)O)c(=O)n1c23

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.50
KCNH2 Q12809 12/20 0.43
LMNA P02545 2/20 0.35
PIM1 P11309 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
PIM3 Q86V86 1/20 0.31
CSNK1G1 Q9HCP0 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
POLB P06746 1/20 0.30
PRKD3 O94806 1/20 0.30
ALOX15 P16050 1/20 0.30
OPRM1 P35372 1/20 0.30
CLK2 P49760 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL20549424 0.95 SCN5A (0.49) SCN5AKCNH2LMNAPIM1GSK3A
SCHEMBL20549555 0.93 KCNH2 (0.42) SCN5AKCNH2LMNA
SCHEMBL20549416 0.88 KCNH2 (0.52) SCN5AKCNH2KDM4EALDH1A1HPGD
SCHEMBL20549420 0.88 SCN5A (0.48) SCN5AKCNH2LMNAKDM4EALDH1A1
SCHEMBL20549390 0.88 SCN5A (0.48) SCN5AKCNH2LMNAPIM1GSK3A
SCHEMBL20551914 0.88 KCNH2 (0.52) SCN5AKCNH2KDM4EALDH1A1HPGD
SCHEMBL20549593 0.88 KCNH2 (0.42) SCN5AKCNH2LMNA
SCHEMBL17494347 0.86 SCN5A (0.69) SCN5AKCNH2
Hydrochloric Acid SCHEMBL20549414 0.82 SCN5A (0.70) SCN5AKCNH2LMNAPIM1GSK3A
SCHEMBL20549227 0.82 SCN5A (0.46) SCN5AKCNH2KDM4EALDH1A1HPGD

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 2 patents. 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
WO-2018203302-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS NOVARTIS AG (CH) 2018-11-08 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-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS TOP1, TOP2A, TOP2B SCN5A 1467/4885KCNH2 2920/4885LMNA 1137/4885

“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.