SCHEMBL3495386

SCHEMBL3495386

COCCNC(=O)c1ccc(/C=C/C(=O)c2c(O)c3cccnc3n(C)c2=O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.42
HPGD P15428 8/20 0.42
ABL1 P00519 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
RIN1 Q13671 1/20 0.42
TP53 P04637 3/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 7/20 0.36
HSD17B10 Q99714 4/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NLRP3 Q96P20 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
SCHEMBL3495389 1.00 KDM4E (0.42) KDM4EHPGDABL1CYP1A2CYP3A4
SCHEMBL3494125 0.91 KDM4E (0.46) KDM4EHPGDTP53CNR2CNR1
SCHEMBL3494127 0.91 KDM4E (0.46) KDM4EHPGDTP53CNR2CNR1
SCHEMBL4520097 0.82 PADI4 (0.40) KDM4EHPGDTP53CNR2CNR1
SCHEMBL4520101 0.82 PADI4 (0.40) KDM4EHPGDTP53CNR2CNR1
SCHEMBL4510487 0.82 KDM4E (0.39) KDM4EHPGDCYP1A2CYP2C19TP53
SCHEMBL4510491 0.82 KDM4E (0.39) KDM4EHPGDCYP1A2CYP2C19TP53
SCHEMBL13403005 0.81 HPGD (0.42) KDM4EHPGDABL1CYP1A2CYP3A4
SCHEMBL13403004 0.80 HPGD (0.39) KDM4EHPGDABL1CYP1A2CYP3A4
SCHEMBL3495509 0.78 KDM4E (0.42) KDM4EHPGDABL1CYP1A2CYP3A4

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-20100081652-A1 Cinnamoyl Compound and Use Thereof SHIRAKI HIROAKI 2010-04-01 US disclosed
EP-1857455-A1 CINNAMOYL COMPOUND AND USE THEREOF 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-20100081652-A1 Cinnamoyl Compound and Use Thereof COL2A1, MMP7, COL14A1 KDM4E 2703/4885HPGD 1386/4885ABL1 3284/4885

“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.