SCHEMBL2952008

SCHEMBL2952008

CN(C)C[C@@H](N)CSc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.58
MAOB P27338 1/20 0.58
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A4 P31645 5/20 0.37
CYP2D6 P10635 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL1540197 0.85 MAOA (0.50) MAOAMAOBHTR2AHRH1EGFR
SCHEMBL1540101 0.82 MAOA (0.55) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL1541274 0.82 MAOA (0.55) MAOAMAOBHTR2AHRH1MTNR1A
SCHEMBL385308 0.82 MAOA (0.55) MAOAMAOBHTR2AHRH1MTNR1A
SCHEMBL9951252 0.82 MAOA (0.55) MAOAMAOBHTR2AHRH1MTNR1A
SCHEMBL24688181 0.79 MAOA (0.64) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL1539929 0.79 MAOA (0.64) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL376197 0.78 MAOA (0.50) MAOAMAOBHTR2AHRH1MTNR1A
SCHEMBL3441777 0.76 MAOA (0.61) MAOAMAOBHTR2AMTNR1AMTNR1B
SCHEMBL1540140 0.76 MAOA (0.51) MAOAMAOBHTR2AHRH1ALDH1A1

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 9 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
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
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP 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
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 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 (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 MAOA 3516/4885MAOB 2822/4885HTR2A 4015/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAOA 3795/4885MAOB 2882/4885HTR2A 3976/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAOA 3516/4885MAOB 2822/4885HTR2A 4015/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR MAOA 3476/4885MAOB 2224/4885HTR2A 3686/4885

“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.