SCHEMBL20549436

SCHEMBL20549436

CC1Cc2c(Br)c(F)cc3c(O)c(C(=O)O)c(=O)n1c23

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 8/20 0.38
KDM4E B2RXH2 4/20 0.38
HIF1A Q16665 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
PIM1 P11309 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
PIM3 Q86V86 2/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
PRKD3 O94806 1/20 0.31
IRAK1 P51617 1/20 0.31
RPS6KA3 P51812 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL20549787 0.88 TLR2 (0.38) TLR2KDM4EHIF1ALMNAALDH1A1
SCHEMBL20549545 0.81 KDM4E (0.39) TLR2KDM4EHIF1ALMNAALDH1A1
SCHEMBL20549502 0.81 HIF1A (0.36) TLR2KDM4EHIF1ALMNAALDH1A1
SCHEMBL20549568 0.78 TLR2 (0.43) TLR2KDM4EHIF1ALMNAALDH1A1
SCHEMBL20549184 0.74
SCHEMBL20549518 0.69 ALDH1A1 (0.33) KDM4ELMNAALDH1A1KMT2A
SCHEMBL20549485 0.66 SCN5A (0.41) TLR2KDM4EHIF1ALMNAALDH1A1
SCHEMBL10784346 0.64 LMNA (0.68) KDM4ELMNAALDH1A1KMT2ASMN1; SMN2
Water SCHEMBL10784206 0.63 LMNA (0.66) KDM4ELMNAALDH1A1KMT2ASMN1; SMN2
Water SCHEMBL10784167 0.63 LMNA (0.66) KDM4ELMNAALDH1A1KMT2ASMN1; SMN2

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 TLR2 967/4885KDM4E 2521/4885HIF1A 2739/4885

“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.