SCHEMBL3137690

SCHEMBL3137690

CNC(=O)Cn1nc2ccc(Oc3c(Br)cc(NCC(=O)O)cc3Br)cc2c1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.38
THRB P10828 10/20 0.38
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL5073545 0.93 THRA (0.35) THRATHRBLMNATP53POLB
SCHEMBL3127279 0.86 THRA (0.41) THRATHRB
SCHEMBL3137713 0.85 THRA (0.36) THRATHRBMCL1
SCHEMBL5072164 0.83 THRB (0.39) THRATHRB
SCHEMBL3129766 0.82 P2RX7 (0.40) THRATHRBRAB9ALMNA
SCHEMBL3145862 0.77 THRA (0.40) THRATHRB
SCHEMBL5072169 0.75 THRA (0.34) THRATHRBRAB9ALMNA
SCHEMBL3141376 0.75 THRB (0.50) THRATHRB
Glycine SCHEMBL5076583 0.74 THRA (0.38) THRATHRB
SCHEMBL3136329 0.73 THRB (0.37) THRATHRB

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
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US disclosed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR THRA 4/4885THRB 6/4885RAB9A 3355/4885

“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.