Sugi Predict

Sugi Predict / Compounds / SCHEMBL376741

SCHEMBL376741

SCHEMBL376741

CN(C)C(=O)C[C@@H](N)CSc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ MTNR1A P48039 4/20 0.45
▸ MTNR1B P49286 4/20 0.45
▸ FFAR1 O14842 1/20 0.41
▸ MMP2 P08253 3/20 0.40
▸ MMP3 P08254 3/20 0.40
▸ MMP9 P14780 3/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ EGFR P00533 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 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
SCHEMBL555137 1.00 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL1540828 0.85 MAOA (0.45) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL19144898 0.85 MAOA (0.47) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL1540432 0.85 MAOA (0.51) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL10175212 0.83 MTNR1A (0.50) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL376564 0.82 MAOA (0.45) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL10175128 0.82 MAOA (0.55) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL25236742 0.82 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL25274884 0.82 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BFFAR1
SCHEMBL1540560 0.81 MTNR1A (0.45) MAOAMAOBMTNR1AMTNR1BFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3095784-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2016-11-23 — — EP disclosed
US-9493431-B2 Apoptosis-inducing agent for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-11-15 — — US disclosed
EP-3048098-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AbbVie Bahamas Limited (BS) 2016-07-27 — — EP disclosed
EP-2387559-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-06-29 — — EP disclosed
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 — — US disclosed
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 — — US disclosed
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 — — US disclosed
EP-1685119-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBVIE BAHAMAS LTD (BS) 2016-03-09 — — EP disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 — — US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 — — US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 — — WO disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 — — WO disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 — — US disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 — — WO disclosed
US-20070072860-A1 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide ABBOTT LABORATORIES 2007-03-29 — — US disclosed
US-20070015787-A1 Apoptosis promoters ABBVIE INC. 2007-01-18 — — US disclosed
US-20060258657-A1 Apoptosis promoters ABBVIE INC. 2006-11-16 — — US disclosed
US-20060128706-A1 Apoptosis promoters ABBVIE INC. 2006-06-15 — — US disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 — — US disclosed
US-20050159427-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2005-07-21 — — 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 (7 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-20060128706-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885MTNR1A 2095/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885MTNR1A 2095/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885MTNR1A 2095/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 MAOA 3900/4885MAOB 3134/4885MTNR1A 3683/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD MAOA 3729/4885MAOB 3196/4885MTNR1A 2992/4885
US-20070072860-A1 N-acylsulfonamide derivatives; BCL-X1 protein inhibitors; anticarcinogenic agents; bladder cancer; for example, N-(4-(4-((4'-chloro(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoyl)-4-(((1R)-3-(dimethylamino)-1-((phenylsulfanyl)methyl)-propyl)amino)-3-nitrobenzenesulfonamide BCL2A1, BAX, BCL2L1 MAOA 4170/4885MAOB 3740/4885MTNR1A 1666/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX MAOA 1944/4885MAOB 811/4885MTNR1A 2899/4885

“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.