SCHEMBL5116836

SCHEMBL5116836

CC(=O)Nc1cc(C)cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
BRD4 O60885 4/20 0.36
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PAX8 Q06710 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MMP1 P03956 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KDR P35968 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL5109654 0.90 THRA (0.38) SMN1; SMN2THRATHRBALDH1A1LMNA
SCHEMBL5118797 0.90 SMN1; SMN2 (0.39) SMN1; SMN2THRATHRBALDH1A1LMNA
SCHEMBL5104790 0.90 BRD4 (0.36) SMN1; SMN2BRD4THRATHRBALDH1A1
SCHEMBL5107711 0.90 ALDH1A1 (0.39) SMN1; SMN2BRD4ALDH1A1LMNAGAA
SCHEMBL4931627 0.90 SMN1; SMN2 (0.36) SMN1; SMN2THRATHRBALDH1A1LMNA
SCHEMBL4932593 0.89 THRA (0.35) SMN1; SMN2THRATHRBALDH1A1LMNA
SCHEMBL4929941 0.88 SMN1; SMN2 (0.38) SMN1; SMN2THRATHRBALDH1A1LMNA
SCHEMBL5106726 0.86 NR3C1 (0.34) SMN1; SMN2THRATHRBALDH1A1LMNA
SCHEMBL4934028 0.86 SMN1; SMN2 (0.36) SMN1; SMN2THRATHRBALDH1A1LMNA
SCHEMBL5103210 0.86 HPGD (0.41) SMN1; SMN2BRD4THRATHRBALDH1A1

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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor KARO BIO AB (SE) 2008-01-03 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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor TSHR, TRHR, THRA SMN1; SMN2 4587/4885BRD4 1335/4885THRA 3/4885

“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.