SCHEMBL2944706

SCHEMBL2944706

NC(CSc1ccccc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.43
IDO1 P14902 3/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
DPP4 P27487 2/20 0.38
MAPK1 P28482 1/20 0.38
KIF11 P52732 1/20 0.38
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
METAP2 P50579 2/20 0.36
METAP1 P53582 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 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
SCHEMBL2951287 0.79 NPC1 (0.53) MAOAMAOBNPC1RAB9AKMT2A
SCHEMBL10716724 0.73 DPP4 (0.49) MAOAIDO1DPP4PKM
SCHEMBL3289204 0.73 DPP4 (0.49) MAOAIDO1DPP4PKM
SCHEMBL30648591 0.71 NPC1 (0.45) MAOAMAOBNPC1RAB9AKMT2A
SCHEMBL6073395 0.71 CA1 (0.36) MAOAMAOBALDH1A1
SCHEMBL7529147 0.71 MAOA (0.68) MAOAMAOBALDH1A1HPGDMAPK1
SCHEMBL3285405 0.71 EPHX1 (0.50) MAOAIDO1DPP4PKM
SCHEMBL9390743 0.68 ALDH1A1 (0.44) ALDH1A1
SCHEMBL4099623 0.67 MAOA (1.00) MAOAMAOBALDH1A1MAPK1
SCHEMBL8909149 0.67 MAOA (1.00) MAOAMAOBALDH1A1MAPK1

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 MAOA 3516/4885MAOB 2822/4885NPC1 2540/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAOA 3795/4885MAOB 2882/4885NPC1 2435/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 MAOA 3516/4885MAOB 2822/4885NPC1 2540/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR MAOA 3476/4885MAOB 2224/4885NPC1 3122/4885

“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.