SCHEMBL19057367

SCHEMBL19057367

CC(=O)NCCCC(CN(CCNC(C)=O)CCNC(C)=O)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
PAOX Q6QHF9 3/20 0.37
FOLH1 Q04609 1/20 0.36
ADRA1A P35348 1/20 0.36
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
PLA2G2C Q5R387 1/20 0.35
ALDH1A1 P00352 2/20 0.33
NFKB1 P19838 1/20 0.33
KCNH2 Q12809 1/20 0.33
TSHR P16473 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11535406 0.76 KDM4E (0.48) KDM4EMAPK1HIF1APAOXFOLH1
SCHEMBL13567005 0.73 KDM4E (0.54) KDM4EMAPK1HIF1APAOXFOLH1
SCHEMBL13057117 0.73 KDM4E (0.54) KDM4EMAPK1HIF1APAOXFOLH1
SCHEMBL5157765 0.72 KDM4E (0.55) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL19050842 0.72 CYP2D6 (0.33)
SCHEMBL12677487 0.71 KDM4E (0.52) KDM4EMAPK1HIF1APAOXFOLH1
SCHEMBL4762361 0.70 KDM4E (0.61) KDM4EMAPK1HIF1APAOXFOLH1
SCHEMBL16790905 0.70 KDM4E (0.52) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL825197 0.69 PAOX (0.49) KDM4EMAPK1HIF1APAOXFOLH1
SCHEMBL12601501 0.68 KDM4E (0.64) KDM4EMAPK1HIF1APAOXFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183365-A1 MACROCYCLES LUMIPHORE, INC. 2017-06-29 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 (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-20170183365-A1 MACROCYCLES HCCS, ABCB7, AURKAIP1 KDM4E 4482/4885MAPK1 4778/4885HIF1A 1763/4885

“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.