SCHEMBL3342210

SCHEMBL3342210

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
BLM P54132 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK14 Q16539 5/20 0.39
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 2/20 0.36
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6522040 0.81 F10 (0.43) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL3305273 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDCYP1A2BLM
SCHEMBL3342218 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDCYP1A2BLM
SCHEMBL3343070 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10MAP2K2
SCHEMBL356681 0.75 ALDH1A1 (0.80) ALDH1A1KDM4EHPGDCYP1A2BLM
SCHEMBL3346082 0.74 KMT2A (0.44) ALDH1A1HPGDBLMMAPTPOLB
SCHEMBL3340313 0.73 CRBN (0.46) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL6524527 0.73 CASP1 (0.40) ALDH1A1HPGDHSD17B10MAPTPOLB
SCHEMBL1003845 0.73 MEN1 (0.53) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL3970272 0.73 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDCYP1A2BLM

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 2591/4885HPGD 925/4885
US-20110028502-A1 DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX7, P2RX3 ALDH1A1 1357/4885KDM4E 2728/4885HPGD 1322/4885

“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.