SCHEMBL1744860

SCHEMBL1744860

O=C1COc2cc(Br)[c]cc2N1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.45
PARP1 P09874 3/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
PKM P14618 3/20 0.38
NR3C2 P08235 2/20 0.36
KIF11 P52732 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL709214 0.80 MMP12 (0.45) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1746761 0.80 MMP12 (0.53) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1744192 0.76 PARP1 (0.52) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2955843 0.75 MMP12 (0.54) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL305202 0.72 MMP12 (0.51) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL30336661 0.72 MMP12 (0.51) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL24286262 0.70 MMP12 (0.49) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL21552385 0.70 MMP12 (0.49) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1853066 0.70 MMP12 (0.57) MMP12PARP1ALDH1A1KMT2APDE3B
SCHEMBL5914785 0.70 NR3C2 (0.51) MMP12PARP1ALDH1A1SMN1; SMN2KMT2A

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 MMP12 3146/4885PARP1 1759/4885ALDH1A1 1115/4885

“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.