SCHEMBL3342218

SCHEMBL3342218

Cc1ccc(=O)n(-c2ccc(C)c(N)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
HSD17B10 Q99714 3/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.54
BLM P54132 1/20 0.54
TDP1 Q9NUW8 2/20 0.47
MAPK14 Q16539 5/20 0.43
MAPT P10636 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CASP1 P29466 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.36
ATAD2 Q6PL18 1/20 0.36

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
SCHEMBL3305273 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL3834458 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL356681 0.80 ALDH1A1 (0.80) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL9892413 0.79 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL3342210 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL6522042 0.78 MAPT (0.43) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL3970272 0.78 ALDH1A1 (0.77) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL10025186 0.77 KDM4E (0.75) ALDH1A1KDM4EHSD17B10HPGDCYP1A2
SCHEMBL3343075 0.75 ATAD2 (0.46) ALDH1A1KDM4EHSD17B10TDP1MAPK14
SCHEMBL3306525 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435990-B2 Dihydropyrimidone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-05-07 US disclosed
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-02-03 US 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 (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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 ALDH1A1 1506/4885KDM4E 2591/4885HSD17B10 4607/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 ALDH1A1 1357/4885KDM4E 2728/4885HSD17B10 4340/4885

“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.