SCHEMBL1541272

SCHEMBL1541272

[NH][C@H](CCSc1ccncc1)CSc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP2C9 P11712 2/20 0.51
HIF1A Q16665 1/20 0.51
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 1/20 0.44
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HRH3 Q9Y5N1 3/20 0.36
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL1541275 0.81 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL1540344 0.77 CYP3A4 (0.44) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL1540254 0.77 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL1540625 0.72 CYP19A1 (0.56) CYP1A2CYP3A4CYP2D6ALDH1A1KDM4E
SCHEMBL1541273 0.70 HTR2A (0.47) ALDH1A1MAPK1MAOAMAOBHRH1
SCHEMBL9951305 0.70 HTR2A (0.47) ALDH1A1MAPK1MAOAMAOBHRH1
SCHEMBL1540523 0.70 HTR2A (0.47) ALDH1A1MAPK1MAOAMAOBHRH1
SCHEMBL1540879 0.70 ALDH1A1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL14093836 0.70 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL1539928 0.70 MAOA (0.53) ALDH1A1MAPK1MAOAMAOBHSD17B10

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 26 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
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
EP-1685119-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2006-08-02 EP 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
WO-2005049594-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 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 (8 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 CYP1A2 4786/4885CYP3A4 4583/4885CYP2D6 4476/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 CYP1A2 4786/4885CYP3A4 4583/4885CYP2D6 4476/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 CYP1A2 4786/4885CYP3A4 4583/4885CYP2D6 4476/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 CYP1A2 4786/4885CYP3A4 4583/4885CYP2D6 4476/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 CYP1A2 4786/4885CYP3A4 4583/4885CYP2D6 4476/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 CYP1A2 4812/4885CYP3A4 4682/4885CYP2D6 4358/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 CYP1A2 4786/4885CYP3A4 4583/4885CYP2D6 4476/4885
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 CYP1A2 4670/4885CYP3A4 4357/4885CYP2D6 4333/4885

“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.