SCHEMBL3137464

SCHEMBL3137464

O=C(O)CCc1cc(Br)c(Oc2ccc3nc(-c4ccccc4)sc3c2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.50
THRB P10828 9/20 0.50
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MIF P14174 1/20 0.46
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
ESR1 P03372 1/20 0.42
NR3C1 P04150 1/20 0.42

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
SCHEMBL3145868 0.85 THRA (0.54) THRATHRBSMN1; SMN2MAPTMEN1
Propionic Acid SCHEMBL5136420 0.82 THRA (0.52) THRATHRBSMN1; SMN2MAPTMEN1
SCHEMBL2787279 0.76 THRB (0.65) THRATHRB
SCHEMBL3137369 0.74 THRA (0.56) THRATHRBESR1NR3C1PGR
SCHEMBL3141004 0.74 THRA (0.53) THRATHRBESR1NR3C1PGR
SCHEMBL5136424 0.73 TDP1 (0.45) THRATHRBSMN1; SMN2LMNAMAPT
SCHEMBL3140997 0.73 THRA (0.55) THRATHRBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3127421 0.73 THRA (0.53) THRATHRBESR1NR3C1PGR
SCHEMBL3140699 0.72 THRA (0.54) THRATHRBESR1NR3C1PGR
SCHEMBL3137244 0.72 THRA (0.54) THRATHRBESR1NR3C1PGR

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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR THRA 4/4885THRB 6/4885KDM4E 1562/4885

“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.