SCHEMBL3342596

SCHEMBL3342596

Cc1cc(Cl)c(OCCO[Si](C)(C)C(C)(C)C)cc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.35
DHFR P00374 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC2A1 P11166 1/20 0.33
S1PR4 O95977 1/20 0.33
KMO O15229 1/20 0.32
CYP2C9 P11712 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32

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
Hydrazinecarboxamide SCHEMBL1463300 0.81 ALDH1A1 (0.35) DHFRCA12CA1CA2CA9
SCHEMBL1225358 0.81 DHFR (0.39) DHFRCA12CA1CA2CA9
SCHEMBL16146968 0.79 NPC1 (0.43) KMT2AMEN1ALDH1A1S1PR4MAPT
SCHEMBL3343157 0.79 NNMT (0.39) NNMTDHFRKMT2AMEN1ALDH1A1
SCHEMBL3341075 0.78 KMT2A (0.40) NNMTDHFRKMT2AMEN1ALDH1A1
SCHEMBL30206944 0.76 CDK5 (0.39) CA12CA1CA2CA9CA14
SCHEMBL13254970 0.76 HTT (0.51) NNMTALDH1A1L3MBTL1USP2MAPK1
SCHEMBL1665412 0.75 RXRA (0.48) KMT2AMEN1POLBHPGDCYP2C19
SCHEMBL16146836 0.73 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL1665370 0.73 S1PR4 (0.47) KMT2AMEN1ALDH1A1S1PR4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
EP-2459541-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-06-06 EP disclosed
EP-2391604-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US disclosed
WO-2010072605-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS 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 (2 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-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS P2RX3, P2RX1, P2RY1 NNMT 1496/4885DHFR 616/4885CA12 4677/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 NNMT 1340/4885DHFR 1205/4885CA12 4774/4885

“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.