SCHEMBL5388191

SCHEMBL5388191

CC(=O)Oc1cc(Cl)c(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(Cl)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
PPOX P50336 1/20 0.42
KMT2A Q03164 1/20 0.42
AR P10275 6/20 0.39
ESRRA P11474 1/20 0.38
CYP3A4 P08684 2/20 0.38
CES2 O00748 1/20 0.38
ABCB11 O95342 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TBXA2R P21731 1/20 0.38

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
SCHEMBL5389110 0.85 AR (0.45) TDP1MEN1TTRPPOXKMT2A
SCHEMBL5393453 0.83 BRAF (0.37) ARESRRAALDH1A1CYP2C19
SCHEMBL5396336 0.82 TSHR (0.39) TDP1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL5382492 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL5391640 0.78 THRA (0.43) ALDH1A1HTTSMN1; SMN2
SCHEMBL5382654 0.75 TDP1 (0.43) TDP1MEN1TTRPPOXKMT2A
SCHEMBL5388204 0.74 NR4A1 (0.39) LMNAGLAMAPK1HTT
SCHEMBL5385584 0.74 ICAM1 (0.35) CYP3A4ALDH1A1LMNAGLAALOX15
SCHEMBL5388193 0.73 THRB (0.46) TDP1MEN1TTRPPOXKMT2A
SCHEMBL5389109 0.73 CYP19A1 (0.39) TDP1MEN1KMT2ACYP3A4ALDH1A1

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 TDP1 3580/4885MEN1 386/4885TTR 160/4885

“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.