SCHEMBL3305437

SCHEMBL3305437

NCC(N)c1ccc(-n2ccc3cc([N+](=O)[O-])ccc32)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
SLC6A2 P23975 1/20 0.39
CYP19A1 P11511 1/20 0.36
GLS O94925 1/20 0.36
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 4/20 0.32
CYP1A2 P05177 2/20 0.32
PKM P14618 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
CYP3A4 P08684 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL3299284 0.80 CDC7 (0.56) CDC7SLC6A2CYP19A1GLS
SCHEMBL3301121 0.79 CDC7 (0.44) CDC7SLC6A2CYP19A1GLSPLG
SCHEMBL3300178 0.77 MAPT (0.52) CDC7SLC6A2CYP19A1GLSMAPT
SCHEMBL13391026 0.77 CDC7 (0.42) CDC7SLC6A2CYP19A1GLSPLG
SCHEMBL3300300 0.74 CDC7 (0.43) CDC7SLC6A2CYP19A1GLSALDH1A1
SCHEMBL3294780 0.73 ALDH1A1 (0.60) MAPTALDH1A1CYP1A2HTR3EHTR3B
SCHEMBL31735769 0.72 CDC7 (0.48) CDC7SLC6A2CYP19A1GLSMAPT
SCHEMBL3302810 0.72 ROCK1 (0.45) MAPTALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL3300026 0.71 L3MBTL1 (0.41) CDC7SLC6A2CYP19A1GLSMAPT
SCHEMBL20357971 0.69 CDC7 (0.81) CDC7

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 CDC7 4322/4885SLC6A2 2503/4885CYP19A1 1541/4885

“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.