SCHEMBL2948776

SCHEMBL2948776

COC(=O)c1ccc(-c2ccc(CN(C)CC(=O)N(C)C)cc2OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.43
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
EGFR P00533 2/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL2943477 0.90 ADRB1 (0.45) ALDH1A1KDM4EKCNH2MCHR1EGFR
SCHEMBL2942087 0.89 ALDH1A1 (0.46) ALDH1A1EGFRLMNASMN1; SMN2ADRB1
SCHEMBL2949625 0.86 BCL2L1 (0.46) ALDH1A1KDM4EEGFRLMNAKMT2A
SCHEMBL7676021 0.85 ACHE (0.48) KCNH2MCHR1EGFRADRB1ADRB3
SCHEMBL2943626 0.84 CHEK1 (0.48) ALDH1A1EGFRSMN1; SMN2ADRB1ADRB3
SCHEMBL2951136 0.80 EGFR (0.49) EGFRKMT2ASMN1; SMN2ADRB1ADRB3
SCHEMBL2952031 0.80 EGFR (0.51) KDM4EEGFRKMT2ASMN1; SMN2ADRB1
SCHEMBL2949557 0.79 ADRB1 (0.48) ALDH1A1KDM4EEGFRLMNAMEN1
SCHEMBL2947405 0.78 CYP4A11 (0.55) ALDH1A1EGFRKMT2ASMN1; SMN2ADRB1
SCHEMBL2951330 0.78 EGFR (0.52) ALDH1A1KDM4EEGFRKMT2ASMN1; 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 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 ALDH1A1 2651/4885KDM4E 1911/4885KCNH2 3576/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2460/4885KDM4E 1563/4885KCNH2 3805/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ALDH1A1 3404/4885KDM4E 1143/4885KCNH2 3747/4885

“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.