SCHEMBL4034244

SCHEMBL4034244

CN(Cc1ccc(C#N)cc1)C(=O)CCCCBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.54
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 2/20 0.43
GSK3B P49841 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TPSAB1 Q15661 2/20 0.39
CCR1 P32246 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL5117737 0.85 NSD2 (0.50) NSD2NPC1RAB9AKMT2ASIGMAR1
SCHEMBL19002498 0.82 NSD2 (0.56) NSD2NPC1RAB9AKMT2ASIGMAR1
SCHEMBL5110210 0.81 NPC1 (0.72) NPC1RAB9AKMT2ABCHEACHE
SCHEMBL4030388 0.81 SIGMAR1 (0.60) NSD2NPC1RAB9AKMT2ASIGMAR1
SCHEMBL19049393 0.79 NSD2 (0.58) NSD2NPC1RAB9AKMT2ASIGMAR1
SCHEMBL5118098 0.77 NSD2 (0.63) NSD2NPC1RAB9AKMT2ASIGMAR1
SCHEMBL5317577 0.76 NSD2 (0.61) NSD2NPC1KMT2ASIGMAR1TMEM97
SCHEMBL24827589 0.75 NSD2 (0.55) NSD2NPC1RAB9AKMT2ASIGMAR1
SCHEMBL19002504 0.75 NSD2 (0.55) NSD2NPC1RAB9AKMT2ASIGMAR1
SCHEMBL5317572 0.74 NSD2 (0.60) NSD2NPC1KMT2ASIGMAR1TMEM97

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521744-B1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS FOURNIER LAB SA (FR) 2009-04-01 EP disclosed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US disclosed
EP-1521744-A1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS LABORATOIRES FOURNIER S.A. (FR) 2005-04-13 EP disclosed
WO-2003106428-A1 NOVEL ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS THERAPEUTIC AGENTS LABORATOIRES FOURNIER SA (FR) 2003-12-24 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 (1 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 NSD2 2965/4885NPC1 336/4885RAB9A 822/4885

“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.