SCHEMBL24449325

SCHEMBL24449325

CC(C)c1cn(Cc2c(Cl)cc(N)cc2Cl)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ GRIA4 P48058 1/20 0.39
▸ GRIK5 Q16478 1/20 0.39
▸ THRA P10827 4/20 0.38
▸ THRB P10828 4/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ UGT1A1 P22309 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ SLCO1B1 Q9Y6L6 1/20 0.38
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ MET P08581 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
SCHEMBL24450119 0.83 GRIA1 (0.36) GRIA1GRIA2GRIA4GRIK5THRA
SCHEMBL24449950 0.76 THRA (0.65) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL13384415 0.73 HPGD (0.66) HPGDMAPK1
SCHEMBL13384412 0.73 MAPK1 (0.41) GRIA1GRIA2GRIA4GRIK5HPGD
SCHEMBL13384443 0.72 SMN1; SMN2 (0.40) GRIA1GRIA2GRIA4GRIK5CYP2C9
SCHEMBL24449323 0.71 HSP90AA1 (0.34) THRATHRB
SCHEMBL12341287 0.69 HTT (0.44) CYP2C9HPGD
SCHEMBL20870268 0.69 GRIA1 (0.38) GRIA1GRIA2GRIA4GRIK5CYP2C9
SCHEMBL13384449 0.69 GRIA1 (0.41) GRIA1GRIA2GRIA4GRIK5CYP2C9
SCHEMBL24449319 0.68 THRA (0.31) 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-20220162161-A1 Novel compounds and their uses as thyroid hormone receptor agonists NANJING RUIJIE PHARMA CO., LTD. (CN) 2022-05-26 — — 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-20220162161-A1 Novel compounds and their uses as thyroid hormone receptor agonists THRA, THRB, TSHR GRIA1 771/4885GRIA2 1444/4885GRIA4 940/4885

“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.

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