SCHEMBL3295698

SCHEMBL3295698

O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(Cl)nn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.62
MAPT P10636 3/20 0.62
ROCK1 Q13464 2/20 0.47
HTR2C P28335 1/20 0.43
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 7/20 0.40
WDR5 P61964 4/20 0.40
MEN1 O00255 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3304134 0.82 ALDH1A1 (0.54) GAAMAPTROCK1ALDH1A1LMNA
SCHEMBL515085 0.81 KMT2A (0.49) GAAMAPTROCK1HTR2CDRD4
SCHEMBL3302810 0.79 ROCK1 (0.45) GAAMAPTROCK1HTR2CDRD4
SCHEMBL3298366 0.79 ROCK1 (0.46) GAAMAPTROCK1ALDH1A1LMNA
SCHEMBL3299842 0.78 ROCK1 (0.63) GAAMAPTROCK1HTR2CDRD4
SCHEMBL13390937 0.78 ROCK1 (0.43) GAAMAPTROCK1HTR2CDRD4
SCHEMBL3294743 0.76 ROCK1 (0.51) GAAMAPTROCK1HTR2CDRD4
SCHEMBL10018239 0.76 KMT2A (0.49) GAAMAPTROCK1HTR2CDRD4
SCHEMBL3300928 0.75 MEN1 (0.44) GAAMAPTROCK1HTR2CDRD4
SCHEMBL29191130 0.75 SIRT2 (0.51) GAAMAPTHTR2CDRD4ALDH1A1

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 4 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
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 GAA 67/4885MAPT 947/4885ROCK1 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.