SCHEMBL3136973

SCHEMBL3136973

NC(=O)c1ccccc1C(=O)[CH]Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.46
SIRT2 Q8IXJ6 2/20 0.43
BCAT2 O15382 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
LMNA P02545 1/20 0.40
METAP2 P50579 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.40
CASP1 P29466 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 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
SCHEMBL3140983 0.79 BCAT2 (0.47) BCAT2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL295277 0.77 MAOB (0.48) PLA2G10PLA2G2ALMNASMN1; SMN2PKM
SCHEMBL11901439 0.77 SIRT2 (0.64) ADRA1DSIRT2BCAT2KDM4EALDH1A1
SCHEMBL5578215 0.76 KDM4E (0.49) BCAT2KDM4EALDH1A1MAPTHSD17B10
Benzene SCHEMBL27395742 0.76 ALDH1A1 (0.67) BCAT2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL3244713 0.75 TDP1 (0.52) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL3727463 0.74 ADRA1D (0.45) ADRA1DSIRT2BCAT2KDM4EALDH1A1
Carbamic Acid SCHEMBL28336611 0.73 ALDH1A1 (0.64) BCAT2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL27640145 0.73 MAOB (0.44) PLA2G10PLA2G2ASMN1; SMN2PKMMAOB
SCHEMBL39118 0.73 ALDH1A1 (0.70) BCAT2KDM4EALDH1A1MAPTHSD17B10

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 5 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
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 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 (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 ADRA1D 2557/4885SIRT2 1080/4885BCAT2 232/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB ADRA1D 2557/4885SIRT2 1080/4885BCAT2 232/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB ADRA1D 2557/4885SIRT2 1080/4885BCAT2 232/4885

“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.