SCHEMBL4453017

SCHEMBL4453017

NC(O)Cc1cc(I)c(Oc2cc(I)c(O)cc2I)c(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.46
THRA P10827 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
LMNA P02545 5/20 0.46
PCNA P12004 4/20 0.46
PPARG P37231 3/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
ABCB11 O95342 1/20 0.46
F2 P00734 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
ADORA1 P30542 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46

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
SCHEMBL4444961 0.78 THRB (0.72) THRBTHRAMEN1KMT2ALMNA
SCHEMBL4607653 0.78 THRB (0.48) THRBTHRAMEN1KMT2ALMNA
SCHEMBL6041111 0.78 THRB (0.40) THRBTHRAMEN1KMT2ALMNA
SCHEMBL4449390 0.75 PCNA (0.74) THRBTHRAMEN1KMT2ALMNA
SCHEMBL1525944 0.75 THRB (0.63) THRBTHRAMEN1KMT2ALMNA
SCHEMBL4238471 0.72 PCNA (0.65) THRBTHRAMEN1KMT2ALMNA
SCHEMBL8733106 0.67 THRB (0.39) THRBTHRAMEN1KMT2ALMNA
SCHEMBL22108878 0.66 THRB (0.70) THRBTHRAMEN1KMT2ALMNA
SCHEMBL25772999 0.66 THRB (0.70) THRBTHRAMEN1KMT2ALMNA
SCHEMBL12726457 0.66 THRB (0.70) THRBTHRAMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US claimed
EP-1625111-A4 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2007-04-25 EP claimed
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-16 US claimed
EP-1625111-A2 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-02-15 EP claimed
US-20050267207-A1 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-01 US claimed
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-05 US claimed
WO-2004093800-A2 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-11-04 WO claimed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7339079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-04 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 US disclosed
EP-1625111-A4 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2007-04-25 EP disclosed
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-16 US disclosed
EP-1625111-A2 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-02-15 EP disclosed
US-6979750-B1 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-27 US disclosed
US-20050267207-A1 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-01 US disclosed
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-05 US disclosed
WO-2004093800-A2 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-11-04 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 (4 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-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF TPO, TSHR, THRB THRB 3/4885THRA 4/4885MEN1 179/4885
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB THRB 3/4885THRA 4/4885MEN1 185/4885
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB THRB 3/4885THRA 4/4885MEN1 179/4885
US-20050267207-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB THRB 3/4885THRA 4/4885MEN1 185/4885

“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.