SCHEMBL3137474

SCHEMBL3137474

O=[N+]([O-])c1ccc(Oc2c(Br)cc(O)cc2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
HSPB1 P04792 2/20 0.49
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MYOC Q99972 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.45
SRD5A2 P31213 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CRHBP P24387 1/20 0.43

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
SCHEMBL5381954 0.87 HSPB1 (0.51) MEN1KMT2AHSPB1MAPTNPC1
SCHEMBL3910543 0.85 ALDH1A1 (0.58) MEN1KMT2AHSPB1MAPTNPC1
SCHEMBL3138142 0.84 HTT (0.53) MEN1KMT2APTGS2HSPB1MAPT
SCHEMBL3141199 0.84 HSPB1 (0.62) MEN1KMT2AHSPB1MAPTNPC1
SCHEMBL3140991 0.84 PTGS1 (0.53) MEN1KMT2APTGS1PTGS2HSPB1
SCHEMBL3133551 0.83 MEN1 (0.68) MEN1KMT2AHSPB1MAPTNPC1
SCHEMBL27544019 0.81 HSPB1 (0.53) MEN1KMT2APTGS1PTGS2HSPB1
SCHEMBL3914980 0.80 POLB (0.52) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL28248818 0.80 MEN1 (0.68) MEN1KMT2APTGS1PTGS2HSPB1
SCHEMBL3911244 0.79 MEN1 (0.48) MEN1KMT2APTGS2MAPTNPC1

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 13 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
US-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
US-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands KARO BIO AB (SE) 2009-09-17 US disclosed
EP-2035377-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2009-03-18 EP disclosed
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007134864-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2007-11-29 WO disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 WO disclosed
US-7199265-B2 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2007-04-03 US disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO disclosed
US-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2004-05-20 US disclosed
EP-1296936-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2003-04-02 EP disclosed
WO-2001098256-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2001-12-27 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 (4 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-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands TSHR, TRHR, THRA MEN1 855/4885KMT2A 1408/4885PTGS1 1359/4885
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR MEN1 496/4885KMT2A 1184/4885PTGS1 1231/4885
US-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones TSHR, THRA, THRB MEN1 386/4885KMT2A 4239/4885PTGS1 848/4885
US-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA MEN1 775/4885KMT2A 2430/4885PTGS1 1339/4885

“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.