SCHEMBL1551029

SCHEMBL1551029

COC(=O)CC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.52
KMT2A Q03164 14/20 0.52
MEN1 O00255 13/20 0.52
ALDH1A1 P00352 9/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
GAA P10253 7/20 0.50
HTT P42858 5/20 0.50
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
MMP14 P50281 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MAPK1 P28482 2/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL1551031 1.00 MAPT (0.52) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10463955 0.82 MEN1 (0.48) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10463956 0.82 MEN1 (0.48) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL393792 0.82 GAA (0.44) MAPTALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL18793175 0.82 GAA (0.44) MAPTALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL393793 0.82 GAA (0.44) MAPTALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL1550324 0.80 SMN1; SMN2 (0.43) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1550322 0.80 SMN1; SMN2 (0.43) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4333571 0.77 SMN1; SMN2 (0.45) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4333564 0.77 SMN1; SMN2 (0.45) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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
US-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-8372837-B2 Pyridone and pyridazone analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 US disclosed
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 US disclosed
CN-102159566-A Pyridone and pyridazone analogues as gpr119 modulators BRISTOL MYERS SQUIBB CO 2011-08-17 CN disclosed
EP-2313395-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2011-04-27 EP disclosed
WO-2010009183-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 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 (2 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-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 MAPT 3761/4885KMT2A 3211/4885MEN1 2531/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 MAPT 3848/4885KMT2A 3266/4885MEN1 2449/4885

“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.