SCHEMBL27046251

SCHEMBL27046251

Cc1cc([N+](=O)[O-])cc(C)c1Oc1ccc2c(c1)CCNC2=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.49
PARP11 Q9NR21 9/20 0.49
GRM5 P41594 6/20 0.42
PARP1 P09874 3/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
PDPK1 O15530 1/20 0.38
TDP2 O95551 1/20 0.37

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
SCHEMBL27045980 0.86 PARP10 (0.43) PARP10PARP11GRM5PARP1PDPK1
SCHEMBL27046248 0.83 PARP10 (0.54) PARP10PARP11GRM5PARP1GABRG2
SCHEMBL22686990 0.80 GRM5 (0.49) PARP10PARP11GRM5PARP1GABRG2
SCHEMBL29438691 0.80 PARP10 (0.36) PARP10PARP11GRM5PARP1TDP2
SCHEMBL27046075 0.77 PARP10 (0.49) PARP10PARP11PARP1PDPK1
SCHEMBL29438642 0.77 PARP10 (0.49) PARP10PARP11PARP1PDPK1
SCHEMBL31016159 0.77 PARP10 (0.52) PARP10PARP11GRM5PARP1PDPK1
SCHEMBL14571335 0.77 TDP2 (0.59) PARP10PARP11GRM5PARP1PDPK1
SCHEMBL29946459 0.74 PKM (0.45)
SCHEMBL8323443 0.72 GRM5 (0.67) PARP10PARP11GRM5PARP1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621207-B Compound serving as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业股份有限公司 2025-02-11 CN disclosed
CN-114195764-B Compound serving as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业股份有限公司 2025-01-17 CN disclosed
US-20240025875-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2024-01-25 US disclosed
EP-4215524-A1 COMPOUND SERVING AS THYROID HORMONE BETA RECEPTOR AGONIST AND USES OF COMPOUND Sunshine Lake Pharma Co., Ltd. (CN) 2023-07-26 EP disclosed
CN-114621207-A Compound as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业有限公司 2022-06-14 CN disclosed
WO-2022057845-A1 COMPOUND SERVING AS THYROID HORMONE β RECEPTOR AGONIST AND USES OF COMPOUND 广东东阳光药业有限公司 2022-03-24 WO disclosed
CN-114195764-A Compound as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业有限公司 2022-03-18 CN 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-20240025875-A1 A COMPOUND AS A THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF THRB, TSHR, THRA PARP10 4291/4885PARP11 4606/4885GRM5 321/4885

“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.