SCHEMBL3304134

SCHEMBL3304134

O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(N2CCNCC2)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54
THPO P40225 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADRB1 P08588 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
ROCK1 Q13464 1/20 0.45
WDR5 P61964 1/20 0.43

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 0.82 GAA (0.62) ALDH1A1GAAMAPTLMNAROCK1
SCHEMBL3301708 0.78 MAPT (0.55) ALDH1A1GAAMAPTLMNA
SCHEMBL3302810 0.76 ROCK1 (0.45) ALDH1A1CYP3A4CYP2C19GAAMAPT
SCHEMBL13390937 0.75 ROCK1 (0.43) ALDH1A1CYP3A4CYP2C19GAAMAPT
SCHEMBL10018239 0.73 KMT2A (0.49) ALDH1A1GAAMAPTLMNAADRB1
SCHEMBL3300928 0.73 MEN1 (0.44) ALDH1A1GAAMAPTNPSR1ROCK1
SCHEMBL3294780 0.72 ALDH1A1 (0.60) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL1842961 0.72 ADRB1 (0.58) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL12969355 0.71 ROCK1 (0.82) ROCK1KMT2A
SCHEMBL515085 0.71 KMT2A (0.49) ALDH1A1GAAMAPTLMNAROCK1

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 3 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

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 ALDH1A1 1848/4885HTR3E 2126/4885HTR3B 2566/4885

“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.