SCHEMBL2943809

SCHEMBL2943809

CCCCCn1nc(C)c(Br)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
GAA P10253 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
APAF1 O14727 1/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
AGTR1 P30556 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 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
SCHEMBL1850785 0.81 APAF1 (0.47) HPGDGAANPSR1LMNACYP1A2
SCHEMBL13177328 0.77 APAF1 (0.50) HPGDGAANPSR1LMNACYP1A2
SCHEMBL6417827 0.76 ALDH1A1 (0.58) HPGDGAANPSR1LMNACYP1A2
SCHEMBL6920216 0.76 APAF1 (0.50) HPGDGAANPSR1LMNACYP1A2
SCHEMBL1233497 0.75 HPGD (0.39) HPGDGAANPSR1LMNACYP1A2
SCHEMBL417591 0.74 HTT (0.48) GAANPSR1LMNACYP1A2CYP3A4
SCHEMBL13696434 0.74 ALDH1A1 (0.47) HPGDGAANPSR1LMNACYP1A2
SCHEMBL27875153 0.73 MAPT (0.46) HPGDGAANPSR1LMNACYP1A2
SCHEMBL3489385 0.72 SMPD1 (0.46) ALDH1A1CNR1MAPT
SCHEMBL8660934 0.71 APAF1 (0.53) HPGDGAANPSR1LMNACYP1A2

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 HPGD 2505/4885GAA 2935/4885NPSR1 2840/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 HPGD 2709/4885GAA 3136/4885NPSR1 3282/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 HPGD 2505/4885GAA 2935/4885NPSR1 2840/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR HPGD 2354/4885GAA 2772/4885NPSR1 3274/4885

“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.