SCHEMBL3342389

SCHEMBL3342389

CCc1cc(OC)c(OC)cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.50
MAPK1 P28482 1/20 0.49
TAAR1 Q96RJ0 2/20 0.48
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 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
SCHEMBL13254967 0.85 TAAR1 (0.45) HMGCRMAPK1TAAR1KDM4EGAA
SCHEMBL13469242 0.84 LCK (0.58) HMGCRMAPK1CYP3A4KDM4EGAA
SCHEMBL3339981 0.83 CYP3A4 (0.44) HMGCRMAPK1TAAR1CYP3A4KDM4E
SCHEMBL13469255 0.82 KDM4E (0.59) HMGCRMAPK1CYP3A4KDM4EGAA
SCHEMBL28285146 0.81 CYP3A4 (0.61) HMGCRMAPK1CYP3A4KDM4EGAA
SCHEMBL13469397 0.79 KMT2A (0.53) HMGCRMAPK1KDM4EGAAALDH1A1
SCHEMBL30927117 0.79 CYP3A4 (0.45) HMGCRMAPK1TAAR1CYP3A4KDM4E
SCHEMBL25627616 0.78 HTR2A (0.43) MAPK1TAAR1CYP3A4KDM4EGAA
SCHEMBL13868273 0.78 TAAR1 (0.58) HMGCRTAAR1CYP3A4KDM4E
SCHEMBL28576535 0.78 HTT (0.68) HMGCRMAPK1CYP3A4KDM4EGAA

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 2 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-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 HMGCR 4729/4885MAPK1 1397/4885TAAR1 247/4885

“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.