SCHEMBL3136298

SCHEMBL3136298

O=C(O)CC(=O)Nc1cc(Br)c(Oc2ccc3nn(-c4ccccc4)cc3c2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.51
THRB P10828 5/20 0.51
ESR2 Q92731 1/20 0.43
MIF P14174 1/20 0.39
NAMPT P43490 1/20 0.38
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
ADORA3 P0DMS8 3/20 0.36
MCHR1 Q99705 1/20 0.36
ADORA1 P30542 1/20 0.36
AURKA O14965 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3133547 0.92 THRA (0.44) THRATHRBESR2HDAC1HDAC2
SCHEMBL3131371 0.87 ESR2 (0.44) THRATHRBESR2MIFNAMPT
SCHEMBL3142310 0.84 THRB (0.53) THRATHRBESR2MIF
SCHEMBL3131338 0.81 ADORA2A (0.41) ESR2MIFADORA3ADORA1AURKA
SCHEMBL3129968 0.80 ESR2 (0.43) THRATHRBESR2MIFADORA3
SCHEMBL3133562 0.79 ESR2 (0.49) ESR2MIFADORA3ADORA1
SCHEMBL3140784 0.79 THRA (0.55) THRATHRBHDAC1HDAC2
SCHEMBL3137618 0.78 ESR2 (0.43) THRATHRBESR2HDAC1HDAC2
SCHEMBL5072179 0.77 ESR2 (0.49) ESR2MIFADORA3ADORA1
SCHEMBL3146020 0.76 MAPT (0.54) ESR2HDAC1HDAC2AURKAL3MBTL1

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 THRA 4/4885THRB 6/4885ESR2 270/4885

“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.