SCHEMBL24449323

SCHEMBL24449323

CC(C)c1cncn(Cc2c(Cl)cc(N)cc2Cl)c1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.34
▸ HSP90AB1 P08238 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ THRA P10827 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL24449318 0.76 IDO1 (0.37) ALDH1A1THRATHRB
SCHEMBL12536545 0.75 CYP11B1 (0.48) HSP90AA1HSP90AB1ALDH1A1LMNAMAPT
SCHEMBL12794259 0.73 HSP90AA1 (0.55) HSP90AA1HSP90AB1LMNA
SCHEMBL38650588 0.73 NPBWR1 (0.37) ALDH1A1LMNAMAPTHTTRECQL
SCHEMBL24449324 0.73 THRA (0.62) THRATHRB
SCHEMBL14703669 0.72 GABRA5 (0.35) HSP90AA1HSP90AB1ALDH1A1RAB9A
SCHEMBL24449319 0.71 THRA (0.31) THRATHRB
SCHEMBL24449325 0.71 GRIA1 (0.39) THRATHRB
SCHEMBL2920651 0.66 THRA (0.57) THRATHRB
SCHEMBL23260078 0.64 POLB (0.36) NPSR1THRATHRB

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 HSP90AA1 1512/4885HSP90AB1 1660/4885ALDH1A1 2389/4885

“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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