SCHEMBL20549259

SCHEMBL20549259

COC(=O)c1c(OS(=O)(=O)C(F)(F)F)c2cc(F)c(Br)c3c2n(c1=O)C(C)CC3

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
HIF1A Q16665 2/20 0.32
TLR2 O60603 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL20549184 0.92
SCHEMBL20549568 0.82 TLR2 (0.43) LMNAHIF1ATLR2KDM4EALDH1A1
SCHEMBL20549505 0.76 KDM4E (0.35) KDM4EALDH1A1KMT2A
SCHEMBL20549856 0.76
SCHEMBL20549787 0.73 TLR2 (0.38) LMNAHIF1ATLR2KDM4EALDH1A1
SCHEMBL20549817 0.72 ALDH1A1 (0.34) LMNAHIF1ATLR2KDM4EALDH1A1
SCHEMBL924469 0.67 PREP (0.37) KDM4EALDH1A1HTT
SCHEMBL20549485 0.66 SCN5A (0.41) LMNAHIF1ATLR2KDM4EALDH1A1
SCHEMBL20549436 0.65 TLR2 (0.38) LMNAHIF1ATLR2KDM4EALDH1A1
SCHEMBL10412626 0.63 TOP2A (0.47) LMNAKDM4EALDH1A1MEN1KMT2A

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 LMNA 1137/4885HIF1A 2739/4885TLR2 967/4885

“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.