SCHEMBL1539997

SCHEMBL1539997

O=Cc1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.53
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.48
BCL2 P10415 6/20 0.48
BAK1 Q16611 4/20 0.48
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
BCL2L1 Q07817 3/20 0.44
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
HTR1A P08908 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL1540289 0.87 BCL2 (0.60) HTR7KDM4EALDH1A1GAAMAPT
SCHEMBL1540329 0.85 HTR7 (0.54) HTR7KDM4EALDH1A1GAAMAPT
SCHEMBL1540038 0.85 HTR7 (0.71) HTR7KDM4EALDH1A1GAAMAPT
SCHEMBL1540315 0.85 HTR7 (0.74) HTR7KDM4EALDH1A1GAAMAPT
SCHEMBL1539996 0.84 HTR7 (0.53) HTR7KDM4EALDH1A1GAAMAPT
SCHEMBL1540394 0.83 HTR7 (0.60) HTR7ALDH1A1MAPTBCL2BAK1
SCHEMBL1540375 0.83 HTR7 (0.51) HTR7KDM4EALDH1A1GAAMAPT
SCHEMBL1540385 0.82 KDM4E (0.55) HTR7KDM4EALDH1A1GAAMAPT
SCHEMBL26845084 0.82 HTR7 (0.56) HTR7KDM4EALDH1A1GAAMAPT
SCHEMBL1540202 0.80 HTR7 (0.62) HTR7GAAMAPTBCL2BAK1

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 2871/4885KDM4E 3661/4885ALDH1A1 3731/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR7 2871/4885KDM4E 3661/4885ALDH1A1 3731/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 HTR7 2871/4885KDM4E 3661/4885ALDH1A1 3731/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 HTR7 2871/4885KDM4E 3661/4885ALDH1A1 3731/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR7 2871/4885KDM4E 3661/4885ALDH1A1 3731/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 HTR7 3227/4885KDM4E 2665/4885ALDH1A1 4016/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 HTR7 2871/4885KDM4E 3661/4885ALDH1A1 3731/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 HTR7 2871/4885KDM4E 3661/4885ALDH1A1 3731/4885
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 3514/4885KDM4E 261/4885ALDH1A1 3280/4885

“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.