SCHEMBL4934616

SCHEMBL4934616

O=C(O)CNC(=O)c1cc(Br)c(OCc2cc(Cl)cc(NCC3CC3)c2F)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 7/20 0.35
F10 P00742 1/20 0.34
KCNH2 Q12809 6/20 0.34
CRHR1 P34998 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CNR2 P34972 1/20 0.32
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGAV P06756 2/20 0.31
ITGB6 P18564 2/20 0.31
ACLY P53396 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
SCHEMBL5717863 0.93 THRA (0.41) CACNA1IF10KCNH2
SCHEMBL4934021 0.90 CRHR1 (0.34) F10CRHR1IDO1TDO2
SCHEMBL4922926 0.87 SMN1; SMN2 (0.38) ACLY
SCHEMBL5717857 0.87 THRA (0.39) CACNA1IF10KCNH2CRHR1
SCHEMBL5717867 0.86 THRA (0.33) CACNA1IF10KCNH2CRHR1CACNA1G
SCHEMBL4924159 0.85 PDE4A (0.36) F10ACLY
SCHEMBL4927472 0.85 SMN1; SMN2 (0.36) ACLY
SCHEMBL4922427 0.84 SMN1; SMN2 (0.36) ACLY
SCHEMBL4934502 0.84 GPR139 (0.37) ACLY
SCHEMBL4923398 0.83 THRA (0.48)

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-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 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-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA CACNA1I 1070/4885F10 1605/4885KCNH2 1412/4885

“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.