Sugi Predict

Sugi Predict / Compounds / SCHEMBL2449792

SCHEMBL2449792

SCHEMBL2449792

CCCCC(=O)CC(=O)c1ccc(OCCCN(CCCC)CCCC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 4/20 0.68
▸ THRA P10827 3/20 0.68
▸ MMP1 P03956 1/20 0.54
▸ BCHE P06276 5/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ ACHE P22303 4/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.48
▸ PLA2G4B P0C869 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ HRH2 P25021 1/20 0.47

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
Hydrochloric Acid SCHEMBL15052791 0.99 THRB (0.67) THRBTHRAMMP1BCHEL3MBTL1
SCHEMBL18286487 0.90 MMP1 (0.64) THRBTHRAMMP1L3MBTL1ACHE
SCHEMBL15052502 0.87 THRA (0.58) THRBTHRAMMP1BCHEACHE
SCHEMBL11135332 0.86 MMP1 (0.59) THRBTHRAMMP1L3MBTL1ACHE
SCHEMBL11136680 0.84 L3MBTL1 (0.64) THRBTHRAMMP1L3MBTL1ACHE
SCHEMBL11138654 0.84 RARB (0.63) THRBTHRAMMP1L3MBTL1PLA2G4B
SCHEMBL15926197 0.84 MMP1 (0.57) THRBTHRAMMP1L3MBTL1ACHE
SCHEMBL12520286 0.84 THRB (0.60) THRBTHRAMMP1BCHEL3MBTL1
SCHEMBL11803505 0.83 THRA (0.64) THRBTHRAMMP1L3MBTL1PLA2G4B
SCHEMBL28292838 0.83 NPC1 (0.66) THRBTHRAMMP1L3MBTL1PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384754-B Preparation method of dronedarone hydrochloride 新发药业有限公司 2020-06-09 — — CN claimed
CN-109384754-B Preparation method of dronedarone hydrochloride 新发药业有限公司 2020-06-09 — — CN disclosed
CN-109384754-B Preparation method of dronedarone hydrochloride 新发药业有限公司 2020-06-09 — — CN disclosed
US-9512097-B2 Process for the preparation of 3-aroyl-5-aminobenzofuran derivatives LEK PHARMACEUTICALS D.D. (SI) 2016-12-06 — — US disclosed
US-9512097-B2 Process for the preparation of 3-aroyl-5-aminobenzofuran derivatives LEK PHARMACEUTICALS D.D. (SI) 2016-12-06 — — US disclosed
US-8796489-B2 Ketobenzofuran derivatives, method for synthesizing same, and intermediates SANOFI (FR) 2014-08-05 — — US disclosed
US-8796489-B2 Ketobenzofuran derivatives, method for synthesizing same, and intermediates SANOFI (FR) 2014-08-05 — — US disclosed
US-8796489-B2 Ketobenzofuran derivatives, method for synthesizing same, and intermediates SANOFI (FR) 2014-08-05 — — US disclosed
US-8748636-B2 Process for preparing benzofuran derivatives substituted at position 5 SANOFI (FR) 2014-06-10 — — US disclosed
US-20130317100-A1 PROCESS FOR THE PREPARATION OF 3-AROYL-5-AMINOBENZOFURAN DERIVATIVES LEK PHARMACEUTICALS D.D. (SI) 2013-11-28 — — US disclosed
US-20130012729-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESIZING SAME, AND INTERMEDIATES SANOFI (FR) 2013-01-10 — — US disclosed
US-20130012729-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESIZING SAME, AND INTERMEDIATES SANOFI (FR) 2013-01-10 — — US disclosed
EP-2542544-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESISING SAME, AND INTERMEDIATES SANOFI (FR) 2013-01-09 — — EP disclosed
WO-2012062918-A1 PROCESS FOR THE PREPARATION OF 3-AROYL-5-AMINOBENZOFURAN DERIVATIVES LEK PHARMACEUTICALS D.D. (SI) 2012-05-18 — — WO disclosed
WO-2012064353-A1 METHOD OF DYNAMIC ENERGY-SAVING SUPERCONDUCTIVE PROPELLER INTERACTION WITH A FLUID MEDIUM REMCO INTERNATIONAL, INC. (US) 2012-05-18 — — WO disclosed
WO-2012062918-A1 PROCESS FOR THE PREPARATION OF 3-AROYL-5-AMINOBENZOFURAN DERIVATIVES LEK PHARMACEUTICALS D.D. (SI) 2012-05-18 — — WO disclosed
EP-2452938-A1 Process for the preparation of 3-aroyl-5-aminobenzofuran derivatives LEK Pharmaceuticals d.d. (SI) 2012-05-16 — — EP disclosed
EP-2452938-A1 Process for the preparation of 3-aroyl-5-aminobenzofuran derivatives LEK Pharmaceuticals d.d. (SI) 2012-05-16 — — EP disclosed
WO-2011107705-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESISING SAME, AND INTERMEDIATES SANOFI-AVENTIS (FR) 2011-09-09 — — WO disclosed
WO-2011107705-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESISING SAME, AND INTERMEDIATES SANOFI-AVENTIS (FR) 2011-09-09 — — WO 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 (2 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-20130012729-A1 KETOBENZOFURAN DERIVATIVES, METHOD FOR SYNTHESIZING SAME, AND INTERMEDIATES NNMT, DHPS, NDUFC1 THRB 4140/4885THRA 4333/4885MMP1 4599/4885
US-20130317100-A1 PROCESS FOR THE PREPARATION OF 3-AROYL-5-AMINOBENZOFURAN DERIVATIVES CYP3A5, CYP4F3, CYP3A4 THRB 3183/4885THRA 3854/4885MMP1 4236/4885

“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.