SCHEMBL1540109

SCHEMBL1540109

O=[C]c1ccc(N2CCN(Cc3ccncc3-c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
BCL2 P10415 2/20 0.45
BAK1 Q16611 2/20 0.45
DRD4 P21917 13/20 0.44
DRD3 P35462 11/20 0.44
DRD2 P14416 11/20 0.44
HTR1A P08908 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
CACNA1F O60840 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44

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
SCHEMBL1540120 0.91 KDM4E (0.45) KDM4EALDH1A1GAAMAPTBCL2
SCHEMBL1540111 0.85 DRD4 (0.49) KDM4EALDH1A1GAAMAPTBCL2
SCHEMBL1540287 0.84 BCL2 (0.60) KDM4EALDH1A1GAAMAPTBCL2
SCHEMBL1540118 0.78 DRD4 (0.52) KDM4EALDH1A1GAAMAPTBCL2
SCHEMBL1539948 0.78 KDM4E (0.51) KDM4EALDH1A1GAAMAPTBCL2
SCHEMBL1111732 0.76 LSS (0.49) KDM4EALDH1A1DRD4DRD3DRD2
SCHEMBL1540122 0.76 DRD4 (0.49) KDM4EALDH1A1GAAMAPTBCL2
SCHEMBL32667353 0.75 LSS (0.48) HTR1AHTR2AHTR7HTR2BHTR6
SCHEMBL1540037 0.75 HTR7 (0.71) KDM4EALDH1A1GAAMAPTBCL2
SCHEMBL1540544 0.74 BCL2L1 (0.50) KDM4EALDH1A1GAAMAPTBCL2

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 29 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
CN-1906183-B N-acylsulfonamide apoptosis promoters ABBOTT LAB 2012-06-20 CN disclosed
US-8173811-B2 Apoptosis promoters ABBOTT LABORATORIES (US) 2012-05-08 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
CN-1906183-A N-acylsulfonamide apoptosis promoters ABBOTT LAB (US) 2007-01-31 CN 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-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-01 US disclosed
US-20050159427-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2005-07-21 US disclosed
WO-2005049593-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-06-02 WO 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 KDM4E 3661/4885ALDH1A1 3731/4885GAA 2001/4885
US-20130190488-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 KDM4E 3661/4885ALDH1A1 3731/4885GAA 2001/4885
US-20070015787-A1 Apoptosis promoters BAX, BCL2, API5 KDM4E 3661/4885ALDH1A1 3731/4885GAA 2001/4885
US-20060258657-A1 Apoptosis promoters BAX, BCL2, API5 KDM4E 3661/4885ALDH1A1 3731/4885GAA 2001/4885
US-20050159427-A1 N-acylsulfonamide apoptosis promoters BAX, API5, CCAR2 KDM4E 2665/4885ALDH1A1 4016/4885GAA 2370/4885
US-20140187531-A1 APOPTOSIS PROMOTERS BAX, BCL2, API5 KDM4E 3661/4885ALDH1A1 3731/4885GAA 2001/4885
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 KDM4E 261/4885ALDH1A1 3280/4885GAA 3970/4885
US-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, JUP, CKMT1A; CKMT1B KDM4E 1580/4885ALDH1A1 654/4885GAA 4686/4885

“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.