SCHEMBL3340978

SCHEMBL3340978

CCC(C)OC(=O)C(C(=O)O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7342180 0.86 TP53 (0.43) KDM4ENPSR1POLBMAPTMAPK1
SCHEMBL4482061 0.83 ALDH1A1 (0.46) NPSR1MAPTKMT2ALMNAMEN1
SCHEMBL3341280 0.81 MAPT (0.38) KDM4EMAPTMAPK1KMT2ALMNA
SCHEMBL4279302 0.80 MAPT (0.43) KDM4EMAPTKMT2ALMNAMEN1
SCHEMBL4715562 0.79 L3MBTL1 (0.41) NPSR1MAPTMAPK1KMT2ALMNA
SCHEMBL3340975 0.79 NPSR1 (0.52) KDM4ENPSR1POLBMAPTMAPK1
SCHEMBL4658268 0.77 LMNA (0.48) KDM4ENPSR1POLBMAPTMAPK1
SCHEMBL3582311 0.77 ALDH1A1 (0.43) KDM4ENPSR1POLBMAPTMAPK1
SCHEMBL2595990 0.76 MAPT (0.49) KDM4ENPSR1POLBMAPTMAPK1
SCHEMBL5804176 0.76 HSD17B10 (0.51) KDM4ENPSR1POLBMAPTMAPK1

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 4 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
EP-2391604-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP 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

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 KDM4E 2570/4885NPSR1 32/4885POLB 4459/4885

“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.