SCHEMBL3341076

SCHEMBL3341076

COCCOc1cc(N)c(Br)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOA P21397 1/20 0.40
PLAU P00749 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL21331704 0.92 MAOA (0.42) L3MBTL1POLBNPC1ALDH1A1MAPT
SCHEMBL23915572 0.86 L3MBTL1 (0.53) L3MBTL1POLBNPC1ALDH1A1MAPT
SCHEMBL22359422 0.85 L3MBTL1 (0.49) L3MBTL1POLBNPC1ALDH1A1MAPT
SCHEMBL3342137 0.81 MAOA (0.38) NPC1ALDH1A1MAOASMN1; SMN2SLC6A4
SCHEMBL5739311 0.80 SLC6A4 (0.35) L3MBTL1POLBALDH1A1MAPTHPGD
SCHEMBL8879337 0.80 L3MBTL1 (0.48) L3MBTL1POLBNPC1ALDH1A1MAPT
SCHEMBL25427456 0.79 L3MBTL1 (0.44) L3MBTL1POLBNPC1ALDH1A1MAPT
SCHEMBL3347704 0.78 MAOA (0.39) NPC1ALDH1A1MAPTHPGDMEN1
SCHEMBL3344863 0.78 NPC1 (0.67) L3MBTL1POLBNPC1ALDH1A1MAPT
SCHEMBL1099695 0.78 CA12 (0.36) L3MBTL1POLBNPC1ALDH1A1MAPT

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 4 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
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 L3MBTL1 4395/4885POLB 4130/4885NPC1 1583/4885

“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.