SCHEMBL5117737

SCHEMBL5117737

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.50
BCHE P06276 4/20 0.49
ACHE P22303 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
LTB4R2 Q9NPC1 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CTBP2 P56545 1/20 0.40
RORC P51449 1/20 0.40
POLB P06746 1/20 0.40
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4030388 0.87 SIGMAR1 (0.60) NSD2BCHEACHENPC1RAB9A
SCHEMBL4034244 0.85 NSD2 (0.54) NSD2BCHEACHENPC1RAB9A
SCHEMBL5118098 0.82 NSD2 (0.63) NSD2NPC1RAB9AKMT2ASIGMAR1
SCHEMBL19002498 0.81 NSD2 (0.56) NSD2NPC1RAB9AKMT2ASIGMAR1
SCHEMBL19049393 0.78 NSD2 (0.58) NSD2NPC1RAB9AKMT2ASIGMAR1
SCHEMBL5317577 0.75 NSD2 (0.61) NSD2NPC1KMT2ASIGMAR1TMEM97
SCHEMBL7114056 0.75 RAB9A (0.58) BCHEACHENPC1RAB9AKMT2A
SCHEMBL4040827 0.74 BDKRB1 (0.66) NSD2BCHEACHERAB9APOLB
SCHEMBL24827589 0.74 NSD2 (0.55) NSD2NPC1RAB9AKMT2ASIGMAR1
SCHEMBL19002504 0.74 NSD2 (0.55) NSD2NPC1RAB9AKMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2965/4885BCHE 3422/4885ACHE 4862/4885

“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.