SCHEMBL3133535

SCHEMBL3133535

CN(C)C(=O)[C@H](C(N)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
ALOX5 P09917 1/20 0.47
EPHX1 P07099 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AOC3 Q16853 4/20 0.40
CYP2D6 P10635 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6052898 1.00 SRC (0.50) SRCALOX5EPHX1TRPM8KDM4E
SCHEMBL1581554 0.86 SRC (0.64) SRCALOX5KDM4EATMALDH1A1
SCHEMBL4955731 0.82 ESR1 (0.40) SRCALOX5EPHX1KDM4EALDH1A1
SCHEMBL6164408 0.82 SRC (0.44) SRCALOX5EPHX1TRPM8KDM4E
SCHEMBL7615467 0.81 ADRB2 (0.45) MEN1KMT2AAOC3CYP2D6
SCHEMBL170040 0.80 SRC (0.67) SRCALOX5EPHX1TDP1CYP2D6
Diphenamide SCHEMBL9786273 0.80 KDM4E (0.50) ALOX5KDM4EATMALDH1A1TDP1
SCHEMBL6792734 0.79 TDP1 (0.60) EPHX1ALDH1A1TDP1MEN1KMT2A
SCHEMBL4958684 0.79 AOC3 (0.49) EPHX1ATMMEN1KMT2AAOC3
SCHEMBL6052959 0.78 CYP2D6 (0.44) ALOX5EPHX1TRPM8KMT2AAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 US disclosed
EP-1636224-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE Prosidion Limited (GB) 2006-03-22 EP disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 US disclosed
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 WO 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 (3 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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB SRC 3033/4885ALOX5 1864/4885EPHX1 978/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB SRC 3033/4885ALOX5 1864/4885EPHX1 978/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB SRC 3033/4885ALOX5 1864/4885EPHX1 978/4885

“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.