SCHEMBL3914044

SCHEMBL3914044

COC(=O)Cc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.50
THRB P10828 3/20 0.50
PTGS2 P35354 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
PTPN7 P35236 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MYOC Q99972 1/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 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
SCHEMBL3913177 0.88 THRA (0.45) THRATHRBPTGS2MEN1KMT2A
SCHEMBL14519762 0.86 THRB (0.68) THRATHRBMEN1KMT2A
SCHEMBL5396340 0.85 THRA (0.43) THRATHRBMEN1KMT2AGAA
SCHEMBL264527 0.84 MEN1 (0.57) PTGS2MEN1KMT2AMAPTMAPK1
SCHEMBL27874614 0.83 ALDH1A1 (0.55) PTGS2MEN1KMT2AGAAMAPT
SCHEMBL3923780 0.82 THRA (0.55) THRATHRBGAANPC1RAB9A
SCHEMBL5742868 0.81 THRB (0.57) THRATHRBLMNA
SCHEMBL3911322 0.81 MEN1 (0.42) THRATHRBMEN1KMT2AGAA
SCHEMBL3914958 0.81 GAA (0.53) PTGS2MEN1KMT2AGAAPKM
SCHEMBL3910693 0.81 MEN1 (0.42) THRATHRBMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2007134864-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2007-11-29 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
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
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
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-1358175-A2 PHENOXY SUBSTITUTED BENZOCONDENSED HETEROARYL DERIVATIVES AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-11-05 EP 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-2002062780-A2 PHENOXY SUBSTITUTED BENZOCONDENSED HETEROARYL DERIVATIVES AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2002-08-15 WO 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 (2 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 THRA 3/4885THRB 4/4885PTGS2 1983/4885
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 THRA 2/4885THRB 3/4885PTGS2 1810/4885

“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.