SCHEMBL3137618

SCHEMBL3137618

COC(=O)C(C(=O)OC)c1cc(Br)c(Oc2ccc3nn(-c4ccccc4)cc3c2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
ADORA3 P0DMS8 6/20 0.38
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
GCG P01275 4/20 0.36
GCGR P47871 1/20 0.36
AURKA O14965 1/20 0.36
ATM Q13315 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3137629 0.89 ESR2 (0.40) ESR2ADORA3MEN1KMT2AGCG
SCHEMBL3129968 0.82 ESR2 (0.43) ESR2ADORA3THRATHRB
SCHEMBL3133547 0.80 THRA (0.44) ESR2ADORA3HDAC1HDAC2AURKA
SCHEMBL3142310 0.80 THRB (0.53) ESR2THRATHRB
SCHEMBL3131371 0.79 ESR2 (0.44) ESR2HDAC1HDAC2ALDH1A1GCG
SCHEMBL3133562 0.79 ESR2 (0.49) ESR2ADORA3MEN1ALDH1A1KMT2A
SCHEMBL3131338 0.79 ADORA2A (0.41) ESR2ADORA3ALDH1A1GCGAURKA
SCHEMBL3136298 0.78 THRA (0.51) ESR2ADORA3HDAC1HDAC2L3MBTL1
SCHEMBL5072179 0.77 ESR2 (0.49) ESR2ADORA3MEN1ALDH1A1KMT2A
SCHEMBL3146020 0.76 MAPT (0.54) ESR2HDAC1HDAC2L3MBTL1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US disclosed
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR ESR2 270/4885ADORA3 238/4885HDAC1 264/4885

“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.