SCHEMBL1464248

SCHEMBL1464248

Cc1cc(-c2ccc(C)c([N+](=O)[O-])c2)n(CCO[Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 2/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
GRK6 P43250 1/20 0.33
GAA P10253 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
SCHEMBL1226419 0.83 ALDH1A1 (0.38) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL4430490 0.76 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL5469275 0.72 MAPT (0.43) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL1464500 0.72 GLS (0.38) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1744241 0.70 DUT (0.40) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL19174957 0.69 MAPT (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL19172785 0.68 DUT (0.38) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL15273724 0.68 DUT (0.36) ALDH1A1MAPTTSHRHPGDGAA
SCHEMBL1746128 0.67 GLS (0.34) ALDH1A1TSHRCYP3A4RECQLGAA
SCHEMBL21628345 0.67 GRN (0.40) ALDH1A1MAPTKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871760-B2 [1,2,4]triazolo[3,4-C][1,4]oxazines as P2X7 modulators ROCHE PALO ALTO LLC (US) 2014-10-28 US disclosed
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
EP-2480545-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
US-8163929-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-24 US disclosed
EP-2382202-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-02 EP disclosed
WO-2011033055-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-03-24 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
WO-2010072607-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES 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 (3 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 ALDH1A1 1506/4885MAPT 2598/4885KMT2A 3250/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 ALDH1A1 1357/4885MAPT 4154/4885KMT2A 3668/4885
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS P2RX3, P2RX7, P2RX1 ALDH1A1 1900/4885MAPT 3294/4885KMT2A 3435/4885

“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.