SCHEMBL3136292

SCHEMBL3136292

CNc1cc(Oc2c(Br)cc(CCC(=O)OC)cc2Br)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 15/20 0.46
THRB P10828 15/20 0.46
HDAC1 Q13547 1/20 0.38
PCNA P12004 1/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3908141 0.88 THRA (0.49) THRATHRBMAPTKMT2A
SCHEMBL3146055 0.88 THRA (0.48) THRATHRBHDAC1
SCHEMBL3131477 0.83 THRB (0.48) THRATHRBPCNAMAPTKMT2A
SCHEMBL3908329 0.82 THRA (0.44) THRATHRBHDAC1MAPTMEN1
SCHEMBL3910714 0.81 KMT2A (0.46) THRATHRBMAPTMEN1KMT2A
SCHEMBL3909957 0.81 KMT2A (0.46) THRATHRBMAPTMEN1KMT2A
SCHEMBL3130002 0.80 THRA (0.39) THRATHRB
SCHEMBL3136070 0.77 THRA (0.45) THRATHRBMAPTMEN1KMT2A
SCHEMBL14386131 0.77 THRA (0.42) THRATHRBPCNAMAPTKMT2A
SCHEMBL3142103 0.76 THRB (0.44) THRATHRBPCNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR THRA 4/4885THRB 6/4885HDAC1 264/4885

“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.