SCHEMBL2950817

SCHEMBL2950817

COC(=O)c1ccc(-c2ccc(CCCN3CCN(C)CC3)cc2OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.54
EBP Q15125 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47
EBPL Q9BY08 1/20 0.47
DRD2 P14416 1/20 0.47
HRH1 P35367 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP4A11 Q02928 2/20 0.45
CYP4F2 P78329 1/20 0.44
ABCB1 P08183 1/20 0.43
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2949961 0.94 CHKA (0.56) CHKAEBPSIGMAR1TMEM97EBPL
SCHEMBL2948029 0.90 EBP (0.51) EBPSIGMAR1TMEM97EBPLDRD2
SCHEMBL2949603 0.90 BCL2 (0.52) HRH1BCL2BCL2L1ALDH1A1
SCHEMBL2944876 0.88 CHKA (0.66) CHKAMEN1KMT2AABCB1KDM4E
SCHEMBL2951969 0.86 DRD2 (0.45) EBPSIGMAR1TMEM97EBPLDRD2
SCHEMBL2951105 0.84 KDM1A (0.48) CHKAMEN1KMT2ABCL2BCL2L1
SCHEMBL2952076 0.84 ADRB1 (0.48) EBPSIGMAR1TMEM97EBPLABCB1
SCHEMBL2951704 0.83 SMN1; SMN2 (0.52) KMT2ABCL2BCL2L1ALDH1A1
SCHEMBL2951677 0.83 CYP4A11 (0.67) CYP4A11CYP4F2BCL2BCL2L1ALDH1A1
SCHEMBL2943927 0.82 MAPT (0.53) CHKAMEN1KMT2AKDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 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 (3 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CHKA 3807/4885EBP 561/4885SIGMAR1 3638/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 CHKA 3671/4885EBP 265/4885SIGMAR1 3665/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR CHKA 3740/4885EBP 221/4885SIGMAR1 4265/4885

“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.