SCHEMBL24450109

SCHEMBL24450109

COc1ncc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)cc1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 18/20 0.51
THRB P10828 18/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C8 P10632 1/20 0.51
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDH1 O75874 1/20 0.36
UGT1A1 P22309 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
SLCO1B1 Q9Y6L6 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
SCHEMBL29527151 0.97 THRB (0.49) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL29066209 0.97 THRB (0.49) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL24450107 0.88 THRB (0.50) THRATHRBCYP2C9CYP2C8
SCHEMBL29066213 0.86 THRB (0.54) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL29526700 0.86 THRB (0.54) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL29527177 0.84 THRA (0.64) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL29527043 0.84 THRA (0.52) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL29066175 0.84 THRA (0.64) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL29066258 0.84 THRA (0.52) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL24449975 0.83 THRB (0.52) THRATHRBCYP2C9CYP2C8UGT1A1

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 THRA 1/4885THRB 2/4885CYP2C9 1825/4885

“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.