SCHEMBL3302810

SCHEMBL3302810

NCC(N)c1ccc(N2CCc3cc([N+](=O)[O-])ccc32)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.45
HTR2C P28335 1/20 0.41
MAPT P10636 5/20 0.40
GAA P10253 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 2/20 0.36
DRD4 P21917 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
CASP6 P55212 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 4/20 0.36
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3295698 0.79 GAA (0.62) ROCK1HTR2CMAPTGAASIRT2
SCHEMBL13390937 0.79 ROCK1 (0.43) ROCK1HTR2CMAPTGAASIRT2
SCHEMBL3304134 0.76 ALDH1A1 (0.54) ROCK1MAPTGAAALDH1A1KMT2A
SCHEMBL3305437 0.72 CDC7 (0.42) MAPTGAASIRT2ALDH1A1KMT2A
SCHEMBL3300928 0.72 MEN1 (0.44) ROCK1HTR2CMAPTGAASIRT2
SCHEMBL12969355 0.71 ROCK1 (0.82) ROCK1HTR2CSIRT2KMT2AMEN1
Hydrochloric Acid SCHEMBL12812998 0.70 ROCK1 (0.80) ROCK1HTR2CSIRT2KMT2AMEN1
SCHEMBL10018239 0.70 KMT2A (0.49) ROCK1HTR2CMAPTGAASIRT2
SCHEMBL4434092 0.70 ROCK1 (0.44) ROCK1HTR2CMAPTGAASIRT2
SCHEMBL515085 0.69 KMT2A (0.49) ROCK1HTR2CMAPTGAASIRT2

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
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

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 1731/4885MAPT 947/4885

“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.