SCHEMBL4415080

SCHEMBL4415080

O=C1NCCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.64
MAOA P21397 10/20 0.64
PARP11 Q9NR21 3/20 0.63
PARP10 Q53GL7 2/20 0.56
TOP1 P11387 1/20 0.52
GRM5 P41594 2/20 0.52
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PDPK1 O15530 1/20 0.50
PARP1 P09874 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50

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
SCHEMBL5848736 0.92 MAOA (0.68) MAOBMAOAPARP11
SCHEMBL31444064 0.89 MAOA (0.64) MAOBMAOAPARP11PARP10TOP1
SCHEMBL4418614 0.87 MAOB (0.65) MAOBMAOAPARP11PARP10GRM5
SCHEMBL4425403 0.86 MAOB (0.67) MAOBMAOAPARP11PARP10GRM5
SCHEMBL3653440 0.85 MAOB (0.69) MAOBMAOAPARP11GRM5GABRG2
SCHEMBL4418018 0.84 MAOA (0.67) MAOBMAOAPARP11PARP10HPGD
SCHEMBL7124149 0.84 PARP11 (0.56) MAOBMAOAPARP11PARP10GRM5
SCHEMBL3875255 0.83 MAOA (0.68) MAOBMAOA
SCHEMBL4424278 0.82 GABRG2 (0.52) MAOBMAOAPARP11PARP10GRM5
Hydrochloric Acid SCHEMBL3902331 0.81 MAOA (0.66) MAOBMAOA

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 40 patents — showing the first 20. 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
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
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 US disclosed
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 US 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
US-20050222203-A1 [4(2-methylamino-3-methyl)benzimidazol]1-[(4-carboxyethylamido-2,5-dimethyloxy)phenyl]ester; vitronectin receptor antagonist; endometriosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity; disruption of osteoclast adhesion PHARMACOPEIA, INC. (US) 2005-10-06 US disclosed
US-6867208-B2 Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 2005-03-15 US disclosed
EP-1501804-A1 ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
US-6818774-B2 2-(S)-(6-(4-FLUORO-BENZYLOXY)-3-OXO-3,4-DIHYDRO-1H-ISOQUINOLIN -2-YL)- PROPIONAMIDE FOR EXAMPLE; ALZHEIMER'S DISEASE OR SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-11-16 US disclosed
US-20030225122-A1 2-(S)-(6-(4-fluoro-benzyloxy)-3-oxo-3,4-dihydro-1H-isoquinolin -2-yl)- propionamide for example; Alzheimer's disease or senile dementia HOFFMANN-LA ROCHE INC. 2003-12-04 US disclosed
WO-2003091219-A1 ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-06 WO disclosed
US-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use GENENTECH, INC. AND HOECHST AKTIENGESELLSCHAFT 2003-02-06 US disclosed
US-6387895-B1 BONE DISORDERS; CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6207663-B1 AS INHIBITORS OF BONE RESORPTION, TUMOR GROWTH, TUMOR METASTASIS, OR INFLAMMATION, OR FOR THE TREATMENT OR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS, NEPHROPATHIES OR RETINOPATHIES HOECHST ATKIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
US-6011045-A Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT 2000-01-04 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 (5 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 MAOB 1537/4885MAOA 1765/4885PARP11 4606/4885
US-20050222203-A1 [4(2-methylamino-3-methyl)benzimidazol]1-[(4-carboxyethylamido-2,5-dimethyloxy)phenyl]ester; vitronectin receptor antagonist; endometriosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity; disruption of osteoclast adhesion MSR1, EDNRA, GPR174 MAOB 1695/4885MAOA 1971/4885PARP11 330/4885
US-20030225122-A1 2-(S)-(6-(4-fluoro-benzyloxy)-3-oxo-3,4-dihydro-1H-isoquinolin -2-yl)- propionamide for example; Alzheimer's disease or senile dementia MAOB, MAOA, BACE2 MAOB 1/4885MAOA 2/4885PARP11 485/4885
US-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use ADGRF1, ADGRE5, BSG MAOB 1140/4885MAOA 1440/4885PARP11 1700/4885
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof VCAM1, VAPB, ICAM1 MAOB 16/4885MAOA 13/4885PARP11 2329/4885

“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.