SCHEMBL3301780

SCHEMBL3301780

CN(C)CCN(C(=O)O)c1nc(N2CCc3cc([N+](=O)[O-])ccc32)ncc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.42
HTR2C P28335 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD4 P21917 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD2 P14416 1/20 0.32
EIF4E P06730 2/20 0.31
MKNK1 Q9BUB5 2/20 0.31
MKNK2 Q9HBH9 2/20 0.31
TP53 P04637 1/20 0.31
DPP4 P27487 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL3299789 0.83 ROCK1 (0.43) ROCK1HTR2CSIRT2MEN1KMT2A
SCHEMBL4429771 0.83 ROCK1 (0.46) ROCK1HTR2CSIRT2MEN1KMT2A
SCHEMBL3301776 0.78 ROCK1 (0.43) ROCK1HTR2CSIRT2MEN1KMT2A
SCHEMBL4434092 0.75 ROCK1 (0.44) ROCK1HTR2CSIRT2MEN1KMT2A
SCHEMBL3295550 0.72 ROCK1 (0.45) ROCK1HTR2CMEN1KMT2AEIF4E
SCHEMBL27479086 0.69 CYP1A2 (0.46) ROCK1HTR2CMEN1KMT2AALDH1A1
SCHEMBL3299787 0.69 ROCK1 (0.40) ROCK1HTR2CSIRT2MEN1KMT2A
SCHEMBL4440927 0.69 GPR119 (0.41) ROCK1GPR119EIF4EMKNK1MKNK2
SCHEMBL3301542 0.69 ROCK1 (0.54) ROCK1HTR2CMEN1KMT2AMKNK1
SCHEMBL3016231 0.68 ROCK1 (0.54) ROCK1HTR2CSIRT2KMT2ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ROCK1 712/4885HTR2C 1731/4885SIRT2 3887/4885

“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.