SCHEMBL2333643

SCHEMBL2333643

O=c1cc(O)c(-c2ccccc2)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.52
PARP1 P09874 1/20 0.50
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.48
ADRA1A P35348 1/20 0.48
NOTUM Q6P988 1/20 0.47
ALOX5 P09917 1/20 0.45
HPGD P15428 2/20 0.45
BCL2L1 Q07817 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PGR P06401 1/20 0.45
HDAC4 P56524 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL16475094 0.78 PARP1 (0.48) PARP1HTTALDH1A1NOTUMHPGD
SCHEMBL19817301 0.77 PRKAB2 (0.54) PARP1ALDH1A1NOTUMMCL1
SCHEMBL23396897 0.76 KDM4E (0.49) PARP1HTTALDH1A1NOTUMHPGD
SCHEMBL21223867 0.76 NOTUM (0.47) BACE1PARP1HTTALDH1A1NOTUM
SCHEMBL19815616 0.76 NOTUM (0.47) BACE1PARP1HTTALDH1A1NOTUM
SCHEMBL19815338 0.74 BCAT2 (0.55) PARP1ALDH1A1NOTUMMAPK1
SCHEMBL19815385 0.73 NOTUM (0.44) PARP1HTTALDH1A1NOTUMHPGD
SCHEMBL21197300 0.72 TGFBR1 (0.46) PARP1HTTALDH1A1NOTUMSMN1; SMN2
SCHEMBL21223948 0.72 NOTUM (0.43) PARP1HTTALDH1A1NOTUMHPGD
SCHEMBL21105009 0.72 NOTUM (0.43) PARP1HTTALDH1A1NOTUMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513424-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
US-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-10-11 US disclosed
US-8232404-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-31 US disclosed
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
EP-2170864-B1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP disclosed
US-8003796-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-23 US disclosed
EP-2170864-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-04-07 EP disclosed
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-22 US disclosed
WO-2009012275-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-22 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-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 BACE1 4064/4885PARP1 3094/4885HTT 3908/4885
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 BACE1 4064/4885PARP1 3094/4885HTT 3908/4885
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 BACE1 3973/4885PARP1 3110/4885HTT 3925/4885

“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.