SCHEMBL2944029

SCHEMBL2944029

Cc1ccc(-c2coc(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 6/20 0.56
ENPP1 P22413 4/20 0.56
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
APP P05067 1/20 0.45
PAX8 Q06710 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
PDE4B Q07343 1/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
GAA P10253 2/20 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
SCHEMBL8748085 0.91 ENPP3 (0.66) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL9006892 0.91 ENPP3 (0.66) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL10910393 0.84 ENPP3 (0.71) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL28472767 0.84 ENPP3 (0.62) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL15706787 0.83 HSD17B1 (0.62) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL28478085 0.83 HDAC1 (0.49) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL14126224 0.79 HDAC1 (0.47) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL14238633 0.79 HDAC1 (0.43) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL14126158 0.79 NOTUM (0.46) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL6639205 0.78 HDAC1 (0.51) ENPP3ENPP1HDAC1HDAC8HDAC6

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 8 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
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US 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 (4 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 ENPP3 1915/4885ENPP1 887/4885HDAC1 94/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ENPP3 2083/4885ENPP1 1212/4885HDAC1 78/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ENPP3 1915/4885ENPP1 887/4885HDAC1 94/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ENPP3 1799/4885ENPP1 1659/4885HDAC1 104/4885

“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.