SCHEMBL5394385

SCHEMBL5394385

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 3/20 0.43
HTR1E P28566 1/20 0.42
S1PR3 Q99500 1/20 0.42
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40

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
SCHEMBL5386428 0.85 KMT2A (0.47) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5381979 0.83 NPBWR1 (0.40) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL4136472 0.79 ALDH1A1 (0.58) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL5389083 0.78 THRB (0.43) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL14543842 0.77 KMT2A (0.47) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL11163357 0.77 ALDH1A1 (0.54) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL14519766 0.77 KMT2A (0.47) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3986085 0.77 HTT (0.53) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3801755 0.75 ALDH1A1 (0.50) MAPTL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL7121943 0.74 MEN1 (0.49) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1

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 4 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-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 MAPT 3955/4885CRHBP 304/4885CRHR2 113/4885

“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.