SCHEMBL1744894

SCHEMBL1744894

O=C1Nc2c[c]ccc2OC1c1ccc2c(c1)NCCO2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
BRD4 O60885 2/20 0.34
PRKCI P41743 1/20 0.33
STING1 Q86WV6 1/20 0.33
FABP6 P51161 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
GSK3B P49841 1/20 0.30

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
SCHEMBL910444 0.83 MMP12 (0.44) ALDH1A1GAAMAPTPDE3BPDE3A
SCHEMBL7095486 0.76 HDAC4 (0.37) BRD4
SCHEMBL670334 0.73 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL3865428 0.72 DDB1 (0.38) ALDH1A1MAPTBRD4KDM4EGLA
SCHEMBL30895870 0.66 ALDH1A1 (0.57) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL30895911 0.66 ALDH1A1 (0.57) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL1450577 0.65 PARP1 (0.60) PDE3BPDE3ABRD4
SCHEMBL2475700 0.65 ALDH1A1 (0.39) ALDH1A1GAAHSD17B10MAPT
SCHEMBL428302 0.64 ALDH1A1 (0.44) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL4267781 0.64 KDM4E (0.52) ALDH1A1GAAHSD17B10MAPTKDM4E

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
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP claimed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US claimed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO claimed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP disclosed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US disclosed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS 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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 ALDH1A1 1115/4885GAA 4371/4885HSD17B10 4507/4885

“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.