SCHEMBL3340975

SCHEMBL3340975

CCOC(=O)C(C(=O)OCC)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 7/20 0.49
TDP1 Q9NUW8 3/20 0.49
POLB P06746 2/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45

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
SCHEMBL1625289 0.89 MAPT (0.52) NPSR1KDM4EMAPTTDP1POLB
SCHEMBL4656404 0.86 NPSR1 (0.50) NPSR1KDM4EMAPTTDP1POLB
SCHEMBL17742882 0.86 ALDH1A1 (0.54) KDM4EMAPTTDP1MAPK1ALDH1A1
SCHEMBL7754064 0.85 NPSR1 (0.49) NPSR1KDM4EMAPTTDP1POLB
SCHEMBL1625485 0.83 ALDH1A1 (0.51) KDM4EMAPTTDP1MAPK1ALDH1A1
SCHEMBL2595990 0.83 MAPT (0.49) NPSR1KDM4EMAPTTDP1POLB
SCHEMBL7342175 0.82 SMN1; SMN2 (0.50) NPSR1KDM4EMAPTTDP1POLB
SCHEMBL8443380 0.82 MAPT (0.54) KDM4EMAPTTDP1MAPK1ALDH1A1
SCHEMBL1641895 0.81 MAPT (0.47) NPSR1MAPTTDP1MAPK1ALDH1A1
SCHEMBL19332218 0.81 ALDH1A1 (0.46) NPSR1KDM4EMAPTTDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
EP-2391604-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
CN-102264702-A As P2X7Dihydropyridinone amides as modulators 2011-11-30 CN disclosed
WO-2010072605-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2010072605-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (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-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS P2RX3, P2RX1, P2RY1 NPSR1 32/4885KDM4E 2570/4885MAPT 2793/4885

“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.