SCHEMBL1099077

SCHEMBL1099077

COc1ccc(NC(=O)N2C=CC(=O)CC2c2ccc(F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.66
CACNA1H O95180 2/20 0.53
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 1/20 0.46
FPR2 P25090 3/20 0.46
FPR1 P21462 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GLA P06280 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1099480 0.89 P2RX7 (0.65) P2RX7GAAMAPTALDH1A1LMNA
SCHEMBL1100619 0.88 P2RX7 (0.63) P2RX7CACNA1HCYP2C9MAPTALDH1A1
SCHEMBL1100044 0.86 P2RX7 (0.74) P2RX7MAPTKMT2A
SCHEMBL1101227 0.86 P2RX7 (0.71) P2RX7CACNA1HMAPTKMT2A
SCHEMBL1101191 0.85 P2RX7 (0.75) P2RX7CYP1A2GAATP53MAPT
SCHEMBL1100504 0.85 P2RX7 (0.60) P2RX7CACNA1HALDH1A1KDM4EGLA
SCHEMBL1099997 0.85 P2RX7 (0.77) P2RX7CACNA1HGAAMEN1KMT2A
SCHEMBL1098580 0.85 P2RX7 (0.79) P2RX7CACNA1HGAAALDH1A1KDM4E
SCHEMBL1100485 0.85 P2RX7 (0.74) P2RX7GAATP53MAPTMEN1
SCHEMBL1100305 0.85 P2RX7 (0.74) P2RX7CACNA1HMAPTALDH1A1KMT2A

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 7 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
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US 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
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 P2RX7 5/4885CACNA1H 570/4885CYP1A2 2344/4885

“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.