SCHEMBL4522124

SCHEMBL4522124

CON(C(C)=O)c1cccc(/C=C/C(=O)c2c(O)c3cccnc3n(C)c2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.37
PADI4 Q9UM07 3/20 0.36
ABCG2 Q9UNQ0 3/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP1B1 Q16678 1/20 0.35
KCNA3 P22001 1/20 0.34
ABCB1 P08183 1/20 0.34
FEN1 P39748 1/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NLRP3 Q96P20 1/20 0.33
USP2 O75604 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
SCHEMBL4520041 0.90 MAPT (0.41) NQO1PADI4ABCG2CYP1A2ABCB1
SCHEMBL3495642 0.85 PADI4 (0.35) PADI4KCNA3FEN1KDM4ENPC1
SCHEMBL4527553 0.79 BCHE (0.44) NQO1ABCG2KDM4EALDH1A1LMNA
SCHEMBL4527547 0.79 BCHE (0.44) NQO1ABCG2KDM4EALDH1A1LMNA
SCHEMBL4510109 0.79 CYSLTR2 (0.44) NQO1ABCG2CYP1A1CYP1A2CYP2D6
SCHEMBL4510106 0.79 CYSLTR2 (0.44) NQO1ABCG2CYP1A1CYP1A2CYP2D6
SCHEMBL2279271 0.79 ABCG2 (0.41) ABCG2CYP1A1CYP1A2CYP2D6CYP1B1
SCHEMBL4520684 0.79 NQO1 (0.42) NQO1PADI4ABCG2CYP1A1CYP1A2
SCHEMBL4520585 0.79 NQO1 (0.42) NQO1PADI4ABCG2CYP1A1CYP1A2
SCHEMBL4520592 0.79 NQO1 (0.42) NQO1PADI4ABCG2CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143368-A1 Use of Cinnamoyl Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-04 US 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 (1 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-20090143368-A1 Use of Cinnamoyl Compound COL2A1, COL1A1, SMAD2 NQO1 1490/4885PADI4 4647/4885ABCG2 1660/4885

“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.