SCHEMBL12808490

SCHEMBL12808490

NC(C=O)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 14/20 0.68
LIG1 P18858 1/20 0.67
THRB P10828 5/20 0.52
THRA P10827 3/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
ABCB11 O95342 1/20 0.52
F2 P00734 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
ADORA1 P30542 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52

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
SCHEMBL12808488 0.87 THRB (0.70) PCNALIG1THRBTHRALMNA
SCHEMBL8187037 0.85 THRB (0.67) PCNALIG1THRBTHRALMNA
SCHEMBL8448639 0.84 TAAR5 (0.60) PCNALIG1MEN1KMT2APPARG
SCHEMBL4449390 0.83 PCNA (0.74) PCNALIG1THRBTHRALMNA
SCHEMBL25773001 0.82 PCNA (0.72) PCNALIG1THRBTHRALMNA
SCHEMBL20385981 0.82 THRB (0.49) PCNALIG1THRBTHRALMNA
SCHEMBL428139 0.81 PCNA (1.00) PCNALIG1THRBTHRALMNA
SCHEMBL1487713 0.81 PCNA (1.00) PCNALIG1THRBTHRALMNA
SCHEMBL445767 0.81 PCNA (1.00) PCNALIG1THRBTHRALMNA
SCHEMBL16124416 0.81 PCNA (0.80) PCNALIG1THRBTHRALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110064773-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A THYROID HORMON AND THEIR THERAPEUTIC USE UNIVERSITE JOSEPH FOURIER (FR) 2011-03-17 US disclosed
WO-2008138995-A1 NEW PHARMACEUTICAL COMPOSITIONS COMPRISING A THYROID HORMON AND THEIR THERAPEUTIC USE UNIVERSITE JOSEPH FOURIER (FR) 2008-11-20 WO disclosed
WO-2008138993-A1 NEW PHARMACEUTICAL COMPOSITIONS COMPRISING DIIODOTHYRONINE AND THEIR THERAPEUTIC USE UNIVERSITE JOSEPH FOURIER (FR) 2008-11-20 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-20110064773-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A THYROID HORMON AND THEIR THERAPEUTIC USE TPO, TSHR, THRA PCNA 4833/4885LIG1 4885/4885THRB 5/4885

“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.