SCHEMBL1539994

SCHEMBL1539994

CSc1ccc(-c2ccccc2CN2CCN(c3ccc(C=O)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.57
BCL2 P10415 3/20 0.48
BAK1 Q16611 2/20 0.48
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
BCL2L1 Q07817 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1540026 0.88 HTR7 (0.54) HTR7BCL2BAK1ALDH1A1LMNA
SCHEMBL1540038 0.87 HTR7 (0.71) HTR7BCL2BAK1MAPTGAA
SCHEMBL1540315 0.87 HTR7 (0.74) HTR7BCL2BAK1MAPTGAA
SCHEMBL1540289 0.85 BCL2 (0.60) HTR7BCL2BAK1MAPTGAA
SCHEMBL1540394 0.85 HTR7 (0.60) HTR7BCL2BAK1MAPTALDH1A1
SCHEMBL1540202 0.84 HTR7 (0.62) HTR7BCL2BAK1MAPTGAA
SCHEMBL1539992 0.84 HTR7 (0.57) HTR7BCL2BAK1MAPTGAA
SCHEMBL1540667 0.84 HTR7 (0.57) HTR7BCL2BAK1ALDH1A1LMNA
SCHEMBL1540073 0.83 HTR7 (0.56) HTR7BCL2BAK1DRD2BCL2L1
SCHEMBL1541071 0.83 HTR7 (0.54) HTR7MAPTGAAMAPK1SMN1; SMN2

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 HTR7 2871/4885BCL2 2/4885BAK1 33/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR7 2871/4885BCL2 2/4885BAK1 33/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 HTR7 2871/4885BCL2 2/4885BAK1 33/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 HTR7 2871/4885BCL2 2/4885BAK1 33/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR7 2871/4885BCL2 2/4885BAK1 33/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 HTR7 3227/4885BCL2 4/4885BAK1 68/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 HTR7 2871/4885BCL2 2/4885BAK1 33/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR7 2871/4885BCL2 2/4885BAK1 33/4885
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 HTR7 3514/4885BCL2 4/4885BAK1 17/4885

“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.