SCHEMBL1098706

SCHEMBL1098706

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 2/20 0.38
TRPA1 O75762 1/20 0.36
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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 0.85 KDM4E (0.42) ALDH1A1CYP3A4TDP1HPGDTRPA1
SCHEMBL11336559 0.82 MAPK1 (0.50) CYP3A4TDP1HPGDTRPA1KMT2A
SCHEMBL1099682 0.81 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1HPGDTRPA1
SCHEMBL12392711 0.76 KMT2A (0.49) ALDH1A1CYP3A4TDP1KMT2AMAPT
SCHEMBL14859534 0.76 ACHE (0.46) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL1108380 0.76 ALDH1A1 (0.39) ALDH1A1CYP3A4TDP1HPGDKMT2A
SCHEMBL19699322 0.75 ALDH1A1 (0.53) ALDH1A1TDP1HPGDKMT2AMAPT
SCHEMBL1100205 0.75 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL22091991 0.75 GABRG2 (0.42) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL25942077 0.75 GPR27 (0.41) ALDH1A1HPGDKMT2AMAPTKDM4E

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 1399/4885CYP3A4 1966/4885TDP1 1355/4885

“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.