SCHEMBL1099682

SCHEMBL1099682

COc1cc(N=C=O)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
HPGD P15428 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP3A4 P08684 2/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
TRPA1 O75762 1/20 0.41
CA12 O43570 2/20 0.40

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
SCHEMBL17891838 0.86 KDM4E (0.42) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL27527973 0.81 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1098706 0.81 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL307695 0.79 HTR3E (0.53) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL29600721 0.79 HTR3E (0.53) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL3399265 0.78 CYP3A4 (0.53) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL893938 0.78 CYP3A4 (0.49) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL12392711 0.77 KMT2A (0.49) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL22846105 0.76 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL11184869 0.76 TSHR (0.54) ALDH1A1MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
EP-2393781-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-14 EP disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 ALDH1A1 1399/4885MAPT 1035/4885MEN1 2789/4885

“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.