SCHEMBL5386428

SCHEMBL5386428

CC(C(=O)O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
KDM4E B2RXH2 1/20 0.44
SRD5A2 P31213 1/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 2/20 0.43
HTR1E P28566 1/20 0.43
S1PR3 Q99500 1/20 0.43
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PTGS1 P23219 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MYOC Q99972 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PDE7A Q13946 1/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL5394385 0.85 MAPT (0.47) KMT2AMEN1KDM4EGAAPKM
SCHEMBL5858200 0.81 PTGS1 (0.46) AKR1C3AKR1C2PTGS1THRATHRB
Valine SCHEMBL29408731 0.81 MEN1 (0.46) KMT2AMEN1KDM4ESRD5A2GAA
SCHEMBL3911770 0.80 MEN1 (0.68) KMT2AMEN1KDM4ESRD5A2GAA
SCHEMBL6912094 0.79 THRA (0.45) AKR1C3AKR1C2PTGS1THRATHRB
SCHEMBL5388297 0.78 THRB (0.51) KMT2AMEN1PKMMAPTMAPK1
SCHEMBL5388301 0.78 THRB (0.51) KMT2AMEN1PKMMAPTMAPK1
SCHEMBL3986085 0.78 HTT (0.53) KMT2AMEN1KDM4EGAAPKM
SCHEMBL7121943 0.77 MEN1 (0.49) KMT2AMEN1KDM4ESRD5A2GAA
SCHEMBL8536694 0.77 HSPB1 (0.51) KMT2AMEN1KDM4ESRD5A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7144909-B2 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2006-12-05 US disclosed
US-20040116387-A1 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2004-06-17 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-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 (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-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones TSHR, THRA, THRB KMT2A 4239/4885MEN1 386/4885AKR1C3 375/4885

“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.