SCHEMBL1540194

SCHEMBL1540194

CN(C)CCN(C)C[C@@H]([NH])CSc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 3/20 0.36
HRH1 P35367 3/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
EGFR P00533 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HTR7 P34969 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
FDPS P14324 1/20 0.33

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
SCHEMBL9951305 0.82 HTR2A (0.47) MAOAMAOBHTR2AHRH1MTNR1A
SCHEMBL1541273 0.82 HTR2A (0.47) MAOAMAOBHTR2AHRH1MTNR1A
SCHEMBL1540523 0.82 HTR2A (0.47) MAOAMAOBHTR2AHRH1MTNR1A
SCHEMBL1540197 0.81 MAOA (0.50) MAOAMAOBMEN1TNNI3TNNT2
SCHEMBL1540139 0.76 MAOA (0.44) MAOAMAOBHTR2AHRH1ALDH1A1
SCHEMBL1540100 0.76 MAOA (0.46) MAOAMAOBMEN1KMT2AMTNR1A
SCHEMBL2951710 0.75 MTNR1A (0.46) MAOAMAOBMEN1KMT2AMTNR1A
SCHEMBL17346451 0.73 FDPS (0.55) MEN1TNNI3TNNT2TNNC1KMT2A
SCHEMBL6024362 0.72 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL1539928 0.72 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BALDH1A1

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
EP-3048098-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AbbVie Bahamas Limited (BS) 2016-07-27 EP disclosed
EP-1685119-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBVIE BAHAMAS LTD (BS) 2016-03-09 EP disclosed
US-9045444-B2 Apoptosis promoters ABBVIE INC. (US) 2015-06-02 US disclosed
US-20140187531-A1 APOPTOSIS PROMOTERS ABBVIE INC. (US) 2014-07-03 US disclosed
EP-2308812-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBVIE BAHAMAS LTD (BS) 2014-02-26 EP disclosed
US-8614318-B2 Apoptosis promoters ABBVIE INC. (US) 2013-12-24 US disclosed
US-20130190488-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2013-07-25 US disclosed
US-8354404-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2013-01-15 US disclosed
US-8173811-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2012-05-08 US disclosed
US-8084607-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2011-12-27 US disclosed
EP-2308812-A2 N-acylsulfonamide apoptosis promoters Abbott Laboratories (US) 2011-04-13 EP disclosed
US-20100240715-A1 Apoptosis promoters ABBOTT LABORATORIES 2010-09-23 US disclosed
US-7767684-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2010-08-03 US disclosed
US-20100022773-A1 APOPTOSIS PROMOTERS ABBVIE INC. 2010-01-28 US disclosed
US-7642260-B2 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, INC. (US) 2010-01-05 US 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-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 (9 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 2943/4885MEN1 4483/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885MEN1 4483/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885MEN1 4483/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885MEN1 4483/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885MEN1 4483/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 MAOA 3900/4885MAOB 3134/4885MEN1 4421/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885MEN1 4483/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885MEN1 4483/4885
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 3740/4885MEN1 4366/4885

“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.