SCHEMBL21749429

SCHEMBL21749429

COc1ccc(Cn2nc(Cc3c(Cl)cc(NC(=O)OCC(N)=NO)cc3Cl)cc(C(C)C)c2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 4/20 0.36
▸ MAPT P10636 2/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ THRB P10828 3/20 0.34
▸ THRA P10827 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ PTGDR2 Q9Y5Y4 3/20 0.33
▸ RORC P51449 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ IGF1R P08069 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
SCHEMBL21749364 0.85 THRB (0.43) THRBTHRA
SCHEMBL21749467 0.85 NPBWR1 (0.38) NPBWR1MAPTP2RX3THRBTHRA
SCHEMBL28566363 0.84 PTGDR2 (0.42) NPBWR1MAPTP2RX3THRBMEN1
SCHEMBL21749425 0.80 NPBWR1 (0.37) NPBWR1THRBTHRA
SCHEMBL21749428 0.80 NPBWR1 (0.37) NPBWR1THRBTHRA
SCHEMBL28566985 0.80 NPBWR1 (0.43) NPBWR1THRBTHRAPTGDR2
SCHEMBL21749380 0.78 NPBWR1 (0.47) NPBWR1THRBTHRA
SCHEMBL21769494 0.77 NPBWR1 (0.35) NPBWR1THRBTHRACACNA1H
SCHEMBL21749514 0.77 NPBWR1 (0.42) NPBWR1MAPTTHRBTHRAAURKA
SCHEMBL28561074 0.75 NPBWR1 (0.47) NPBWR1MAPTTHRBTHRAAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800767-B2 Thyroid hormone receptor beta agonist compounds Terns, Inc. (US) 2020-10-13 — — US disclosed
US-20200062742-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns, Inc. 2020-02-27 — — 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 (2 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-20200062742-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS THRB, THRA, TSHR NPBWR1 158/4885MAPT 2085/4885P2RX3 675/4885
US-10800767-B2 Thyroid hormone receptor beta agonist compounds THRB, THRA, TSHR NPBWR1 158/4885MAPT 2085/4885P2RX3 675/4885

“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.

Send feedback