SCHEMBL3301121

SCHEMBL3301121

NCC(N)c1ccnc(-n2ccc3cc([N+](=O)[O-])ccc32)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.44
SLC6A2 P23975 1/20 0.41
CYP19A1 P11511 1/20 0.36
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
GLS O94925 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.32
ROCK1 Q13464 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 0.81 CDC7 (0.56) CDC7SLC6A2CYP19A1GLSROCK1
SCHEMBL3305437 0.79 CDC7 (0.42) CDC7SLC6A2CYP19A1PLGPLAU
SCHEMBL31735926 0.78 SLC6A2 (0.51) CDC7SLC6A2CYP19A1GLSMAPT
SCHEMBL28565495 0.78 SLC6A2 (0.51) CDC7SLC6A2CYP19A1GLSMAPT
SCHEMBL3298701 0.78 RPS6KA5 (0.48) CDC7SLC6A2CYP19A1GLSMAPT
SCHEMBL13391073 0.77 MKNK2 (0.49) CDC7SLC6A2CYP19A1PLGPLAU
SCHEMBL20357971 0.71 CDC7 (0.81) CDC7ROCK1
SCHEMBL13391023 0.69 CDC7 (0.54) CDC7SLC6A2MKNK1MKNK2ROCK1
SCHEMBL3297325 0.69 CDC7 (0.59) CDC7SLC6A2CYP19A1GLSALDH1A1
SCHEMBL716278 0.68 SLC6A2 (0.61) CDC7SLC6A2CYP19A1GLSMAPT

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.