SCHEMBL3131371

SCHEMBL3131371

O=C(O)CNc1cc(Br)c(Oc2ccc3nn(-c4ccccc4)cc3c2)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
MIF P14174 1/20 0.41
THRB P10828 8/20 0.38
THRA P10827 7/20 0.38
NAMPT P43490 1/20 0.37
GCG P01275 1/20 0.37
TP53 P04637 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MCHR1 Q99705 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
SCHEMBL3131338 0.89 ADORA2A (0.41) ESR2MIFGCGTP53ALDH1A1
SCHEMBL3136298 0.87 THRA (0.51) ESR2MIFTHRBTHRANAMPT
SCHEMBL3142310 0.85 THRB (0.53) ESR2MIFTHRBTHRA
SCHEMBL3133547 0.83 THRA (0.44) ESR2THRBTHRAHDAC1HDAC2
SCHEMBL3129968 0.81 ESR2 (0.43) ESR2MIFTHRBTHRA
SCHEMBL3133562 0.80 ESR2 (0.49) ESR2MIFALDH1A1MAPT
SCHEMBL3137618 0.79 ESR2 (0.43) ESR2THRBTHRAGCGHDAC1
SCHEMBL3129766 0.79 P2RX7 (0.40) THRBTHRAMAPT
SCHEMBL5072179 0.77 ESR2 (0.49) ESR2MIFALDH1A1MAPT
SCHEMBL3146020 0.77 MAPT (0.54) ESR2HDAC1HDAC2ALDH1A1MAPT

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 270/4885MIF 4307/4885THRB 6/4885

“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.