SCHEMBL2950591

SCHEMBL2950591

Nc1cc(Br)ccc1NCC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.62
PTGER4 P35408 2/20 0.47
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AOC1 P19801 1/20 0.42
AOC3 Q16853 1/20 0.42
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
KDM4C Q9H3R0 2/20 0.39
APP P05067 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ASPH Q12797 1/20 0.38
RIOX2 Q8IUF8 1/20 0.38
KDM8 Q8N371 1/20 0.38
ALDH3A1 P30838 1/20 0.38
CD38 P28907 1/20 0.37

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
SCHEMBL24321820 0.95 AAK1 (0.56) AAK1PTGER4IDO1TDO2MEN1
SCHEMBL3133410 0.92 PTGER4 (0.54) AAK1PTGER4IDO1TDO2
SCHEMBL1528478 0.88 AAK1 (0.51) AAK1PTGER4IDO1TDO2MEN1
SCHEMBL3997126 0.85 AAK1 (0.46) AAK1PTGER4HDAC1HDAC2
SCHEMBL1241609 0.79 AAK1 (0.46) AAK1PTGER4IDO1TDO2MEN1
SCHEMBL1519177 0.79 PTGER4 (0.50) AAK1PTGER4IDO1TDO2HDAC3
SCHEMBL4464361 0.78 KDM4E (0.49) AAK1PTGER4IDO1TDO2MEN1
SCHEMBL31259141 0.77 AOC1 (0.47) AAK1PTGER4IDO1TDO2MEN1
SCHEMBL26914178 0.77 AAK1 (0.44) AAK1PTGER4MEN1KMT2AALDH1A1
SCHEMBL24306614 0.77 AAK1 (0.44) AAK1PTGER4MEN1KMT2AALDH1A1

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 AAK1 1889/4885PTGER4 3921/4885IDO1 3828/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 AAK1 1877/4885PTGER4 3856/4885IDO1 3889/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 AAK1 1889/4885PTGER4 3921/4885IDO1 3828/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR AAK1 2622/4885PTGER4 3843/4885IDO1 4315/4885

“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.