SCHEMBL1539928

SCHEMBL1539928

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.53
MAOB P27338 1/20 0.53
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
FFAR1 O14842 1/20 0.42
SLC6A4 P31645 1/20 0.36
PLA2G10 O15496 1/20 0.35
LMNA P02545 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ELANE P08246 1/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL6024362 1.00 MAOA (0.53) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL1540100 0.80 MAOA (0.46) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL12610426 0.78 MAOA (0.57) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL1540479 0.77 SIGMAR1 (0.44) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL24088816 0.77 MAOA (0.61) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL13074353 0.77 MAOA (0.61) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL5314709 0.77 MAOA (0.61) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL1540523 0.76 HTR2A (0.47) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL9951305 0.76 HTR2A (0.47) MAOAMAOBALDH1A1MAPK1MTNR1A
SCHEMBL1541273 0.76 HTR2A (0.47) MAOAMAOBALDH1A1MAPK1MTNR1A

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 2943/4885ALDH1A1 3731/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885ALDH1A1 3731/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885ALDH1A1 3731/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885ALDH1A1 3731/4885
US-20100022773-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885ALDH1A1 3731/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 MAOA 3900/4885MAOB 3134/4885ALDH1A1 4016/4885
US-20100240715-A1 Apoptosis promoters BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885ALDH1A1 3731/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 MAOA 2958/4885MAOB 2943/4885ALDH1A1 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 MAOA 4170/4885MAOB 3740/4885ALDH1A1 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.