SCHEMBL3142272

SCHEMBL3142272

CCc1c2cc(Cc3c(Br)cc(NC(=O)CC(=O)O)cc3Br)ccc2nn1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.36
THRB P10828 3/20 0.36
PTGDR2 Q9Y5Y4 11/20 0.36
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RORC P51449 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3141802 0.76 MAPT (0.38) THRATHRBMAPTKDM4EALDH1A1
SCHEMBL3136227 0.73 HDAC1 (0.38) THRATHRBMEN1KMT2ALMNA
SCHEMBL3145862 0.72 THRA (0.40) THRATHRB
Glycine SCHEMBL5076583 0.69 THRA (0.38) THRATHRB
SCHEMBL5072169 0.65 THRA (0.34) THRATHRBMAPTKDM4EALDH1A1
SCHEMBL5076587 0.65 THRA (0.36) THRATHRBMEN1KMT2A
SCHEMBL3141376 0.61 THRB (0.50) THRATHRB
SCHEMBL3141256 0.60 THRB (0.52) THRATHRB
SCHEMBL13381412 0.59 HDAC3 (0.60) ALDH1A1HPGDMEN1RAB9AKMT2A
SCHEMBL24132090 0.58 THRB (0.64) 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 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 6/4885PTGDR2 124/4885

“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.