SCHEMBL1539986

SCHEMBL1539986

CSc1ccc(C2=C(CN3CCN(c4ccc(C=O)cc4)CC3)CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 2/20 0.41
HTR7 P34969 1/20 0.40
BCL2L1 Q07817 1/20 0.39
CHKA P35790 1/20 0.39
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 2/20 0.36
MEN1 O00255 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL1540934 0.85 BCL2L1 (0.50) ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E
SCHEMBL1539985 0.85 HTR7 (0.40) ALDH1A1SMN1; SMN2KDM4EHTR7BCL2L1
SCHEMBL1540416 0.84 BCL2L1 (0.49) ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E
SCHEMBL29312875 0.84 BCL2L1 (0.49) ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E
SCHEMBL1540223 0.84 BCL2L1 (0.49) ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E
SCHEMBL1540145 0.83 TRIM24 (0.44) ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E
SCHEMBL1540545 0.83 BCL2L1 (0.50) ALDH1A1TRIM24TRIM33SMN1; SMN2KDM4E
SCHEMBL1540492 0.83 MAPT (0.47) ALDH1A1TRIM24TRIM33KDM4EMAPT
SCHEMBL1539994 0.77 HTR7 (0.57) ALDH1A1SMN1; SMN2KDM4EHTR7BCL2L1
SCHEMBL1541071 0.76 HTR7 (0.54) ALDH1A1SMN1; SMN2KDM4EHTR7MAPT

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 23 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 ALDH1A1 3731/4885TRIM24 684/4885TRIM33 2028/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 ALDH1A1 3731/4885TRIM24 684/4885TRIM33 2028/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 ALDH1A1 3731/4885TRIM24 684/4885TRIM33 2028/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 ALDH1A1 3731/4885TRIM24 684/4885TRIM33 2028/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 ALDH1A1 3731/4885TRIM24 684/4885TRIM33 2028/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 ALDH1A1 4016/4885TRIM24 1786/4885TRIM33 4063/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 ALDH1A1 3731/4885TRIM24 684/4885TRIM33 2028/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 ALDH1A1 3731/4885TRIM24 684/4885TRIM33 2028/4885
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 ALDH1A1 3280/4885TRIM24 411/4885TRIM33 2740/4885

“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.