SCHEMBL4030388

SCHEMBL4030388

CN(CCCCC(=O)N(C)Cc1ccc(C#N)cc1)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.60
KDM4A O75164 2/20 0.56
KDM4C Q9H3R0 2/20 0.56
TMEM97 Q5BJF2 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
BCHE P06276 4/20 0.53
ACHE P22303 4/20 0.53
KMT2A Q03164 2/20 0.51
HTR7 P34969 4/20 0.49
MEN1 O00255 1/20 0.48
NSD2 O96028 1/20 0.46

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 0.87 NSD2 (0.50) SIGMAR1KDM4AKDM4CTMEM97NPC1
SCHEMBL4034244 0.81 NSD2 (0.54) SIGMAR1TMEM97NPC1RAB9ABCHE
SCHEMBL19002498 0.77 NSD2 (0.56) SIGMAR1TMEM97NPC1RAB9AKMT2A
SCHEMBL4072151 0.77 NPC1 (0.85) NPC1RAB9ABCHEACHEKMT2A
SCHEMBL7039840 0.77 SIGMAR1 (0.57) SIGMAR1TMEM97NPC1KMT2AMEN1
SCHEMBL17372411 0.76 SIGMAR1 (0.62) SIGMAR1TMEM97KMT2AMEN1
SCHEMBL7398852 0.75 KDM4A (0.74) SIGMAR1KDM4AKDM4CTMEM97KMT2A
SCHEMBL5118098 0.75 NSD2 (0.63) SIGMAR1TMEM97NPC1RAB9AKMT2A
SCHEMBL17372581 0.75 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL31612507 0.74 TSHR (0.53) SIGMAR1KDM4ATMEM97KMT2AMEN1

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 SIGMAR1 137/4885KDM4A 3324/4885KDM4C 3310/4885

“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.