SCHEMBL5258588

SCHEMBL5258588

O=C1NCCCc2cc(O)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
PRKCI P41743 1/20 0.59
PARP10 Q53GL7 7/20 0.51
PARP11 Q9NR21 6/20 0.51
PRKD1 Q15139 3/20 0.49
GSK3B P49841 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B1 P14061 1/20 0.45
PARP1 P09874 3/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
PDPK1 O15530 1/20 0.44

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
SCHEMBL1417646 0.89 PARP10 (0.64) MAOAMAOBPRKCIPARP10PARP11
SCHEMBL10201434 0.86 PARP1 (0.56) MAOAMAOBPRKCIPARP10PARP11
SCHEMBL23160447 0.83 PARP10 (0.60) PARP10PARP11GSK3BPARP1PDPK1
SCHEMBL2995459 0.79 PARP10 (0.51) PARP10PARP11GSK3BPARP1PDPK1
SCHEMBL12078460 0.79 PARP10 (0.44) MAOAMAOBPRKCIPARP10PARP11
SCHEMBL17797572 0.79 PARP10 (0.81) PARP10PARP11GSK3BPARP1PDPK1
SCHEMBL12090727 0.79 PARP10 (0.81) PARP10PARP11GSK3BALDH1A1LMNA
SCHEMBL1888691 0.79 PARP10 (0.60) PARP10PARP11GSK3BALDH1A1L3MBTL1
SCHEMBL1952871 0.79 CASP1 (0.53) PARP10PARP11GSK3BLMNAPARP1
SCHEMBL618639 0.78 CA12 (0.53) MAOAMAOBPRKCIGSK3BPARP1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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
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
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 EP disclosed
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 EP disclosed
EP-1539704-A1 SUBSTITUTED AZEPINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-06-15 EP disclosed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
US-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 WO disclosed
WO-2004018432-A1 SUBSTITUTED AZEPINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2004-03-04 WO disclosed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US disclosed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP disclosed
US-4340595-A ADRENERGIC BLOCKING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1982-07-20 US disclosed
EP-0011747-B1 AMINOPROPANOL DERIVATIVES OF 6-HYDROXY-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1982-05-19 EP disclosed
EP-0011747-A1 Aminopropanol derivatives of 6-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-ones, process for their preparation, and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1980-06-11 EP 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 (3 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 MAOA 1765/4885MAOB 1537/4885PRKCI 1571/4885
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 MAOA 2676/4885MAOB 1680/4885PRKCI 4765/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS MAOA 2380/4885MAOB 1324/4885PRKCI 4801/4885

“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.