SCHEMBL2950644

SCHEMBL2950644

NS(=O)(=O)c1cc(-c2ncccn2)c(NCC2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
HTT P42858 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTGS2 P35354 1/20 0.42
CA2 P00918 6/20 0.40
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA9 Q16790 4/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 3/20 0.37
PKM P14618 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL2946713 0.82 MAPT (0.46) MAPTHTTALDH1A1SMN1; SMN2PTGS2
SCHEMBL2949136 0.79 MAPT (0.44) MAPTHTTALDH1A1SMN1; SMN2PTGS2
SCHEMBL2942323 0.79 BCL2L1 (0.48) MAPTHTTALDH1A1SMN1; SMN2PTGS2
SCHEMBL1541487 0.74 MAPT (0.64) MAPTHTTALDH1A1SMN1; SMN2PTGS2
SCHEMBL25249303 0.72 CA12 (0.41) MAPTHTTALDH1A1SMN1; SMN2CA2
SCHEMBL29777475 0.72 CA12 (0.41) MAPTHTTALDH1A1SMN1; SMN2CA2
SCHEMBL4733973 0.71 KMT2A (0.45) MAPTHTTALDH1A1SMN1; SMN2PTGS2
SCHEMBL29777517 0.71 CA12 (0.42) MAPTHTTALDH1A1SMN1; SMN2PTGS2
SCHEMBL25214997 0.71 CA12 (0.42) MAPTHTTALDH1A1SMN1; SMN2PTGS2
SCHEMBL2952547 0.68 WNK1 (0.46) MAPTHTTALDH1A1SMN1; SMN2CA2

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 MAPT 4851/4885HTT 3524/4885ALDH1A1 2651/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPT 4830/4885HTT 3398/4885ALDH1A1 2460/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAPT 4851/4885HTT 3524/4885ALDH1A1 2651/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR MAPT 4806/4885HTT 2725/4885ALDH1A1 3404/4885

“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.