SCHEMBL3494634

SCHEMBL3494634

CC(=O)c1c(O)c2cccnc2n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
FEN1 P39748 1/20 0.52
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NLRP3 Q96P20 1/20 0.49
MAPT P10636 4/20 0.48
USP2 O75604 2/20 0.48
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
HTT P42858 2/20 0.47
POLB P06746 1/20 0.46
EGFR P00533 1/20 0.45
SRC P12931 1/20 0.45
CNR2 P34972 3/20 0.43
CNR1 P21554 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL11078500 0.88 FEN1 (0.52) ALDH1A1FEN1RAB9ANPC1KDM4E
SCHEMBL3518030 0.85 FEN1 (0.49) ALDH1A1FEN1RAB9ANPC1KDM4E
SCHEMBL8137427 0.81 ALDH1A1 (0.65) ALDH1A1FEN1NPC1KDM4ELMNA
SCHEMBL2437514 0.81 EGLN1 (0.54) ALDH1A1FEN1RAB9ANPC1KDM4E
SCHEMBL8802904 0.81 FEN1 (0.54) ALDH1A1FEN1KDM4EUSP2HTT
SCHEMBL13402676 0.80 FEN1 (0.56) ALDH1A1FEN1RAB9ANPC1KDM4E
SCHEMBL2576889 0.79 EGLN1 (0.59) ALDH1A1RAB9ANPC1KDM4ELMNA
SCHEMBL2577086 0.78 KDM4E (0.48) ALDH1A1RAB9ANPC1KDM4ELMNA
SCHEMBL13818071 0.77 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1KDM4ELMNA
SCHEMBL11080007 0.75 FEN1 (0.51) ALDH1A1FEN1RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081652-A1 Cinnamoyl Compound and Use Thereof SHIRAKI HIROAKI 2010-04-01 US disclosed
US-20090143368-A1 Use of Cinnamoyl Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-04 US disclosed
US-20090143368-A1 Use of Cinnamoyl Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-04 US disclosed
US-20090143368-A1 Use of Cinnamoyl Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-04 US disclosed
EP-1857455-A1 CINNAMOYL COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2007-11-21 EP disclosed
EP-1857104-A1 USE OF CINNAMOYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-11-21 EP disclosed
EP-1857104-A1 USE OF CINNAMOYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-11-21 EP 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-20100081652-A1 Cinnamoyl Compound and Use Thereof COL2A1, MMP7, COL14A1 ALDH1A1 474/4885FEN1 3410/4885RAB9A 2932/4885
US-20090143368-A1 Use of Cinnamoyl Compound COL2A1, COL1A1, SMAD2 ALDH1A1 749/4885FEN1 4320/4885RAB9A 4027/4885

“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.