SCHEMBL3300928

SCHEMBL3300928

CN(C)CCNc1ccc(N2CCc3cc([N+](=O)[O-])ccc32)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ROCK1 Q13464 1/20 0.41
HTR2C P28335 1/20 0.38
MAPT P10636 5/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 1/20 0.35
EIF4E P06730 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
CAMK2D Q13557 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 2/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL13390937 0.87 ROCK1 (0.43) KMT2AROCK1HTR2CMAPTGAA
SCHEMBL3295550 0.81 ROCK1 (0.45) MEN1KMT2AROCK1HTR2CHTR1A
SCHEMBL3301542 0.81 ROCK1 (0.54) MEN1KMT2AROCK1HTR2CMKNK1
SCHEMBL4434092 0.78 ROCK1 (0.44) MEN1KMT2AROCK1HTR2CMAPT
SCHEMBL3295698 0.75 GAA (0.62) MEN1KMT2AROCK1HTR2CMAPT
SCHEMBL3299787 0.74 ROCK1 (0.40) MEN1KMT2AROCK1HTR2CMAPT
SCHEMBL3304134 0.73 ALDH1A1 (0.54) KMT2AROCK1MAPTGAAALDH1A1
SCHEMBL3302810 0.72 ROCK1 (0.45) MEN1KMT2AROCK1HTR2CMAPT
SCHEMBL3299789 0.71 ROCK1 (0.43) MEN1KMT2AROCK1HTR2CMAPT
SCHEMBL1951649 0.70 LMNA (0.56) MEN1KMT2AMAPTGAASMN1; SMN2

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-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 MEN1 4511/4885KMT2A 2087/4885ROCK1 712/4885

“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.