SCHEMBL23397254

SCHEMBL23397254

CC(C)NCCCCNC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.41
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PAOX Q6QHF9 2/20 0.38
DPP7 Q9UHL4 1/20 0.36
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ALDH1A2 O94788 1/20 0.35
ALDH2 P05091 1/20 0.35
ALDH1A3 P47895 1/20 0.35
MMP8 P22894 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
SCHEMBL19091384 0.96 EPHX1 (0.37) EPHX1KDM4EMAPK1HIF1AMEN1
SCHEMBL22519416 0.86 ALDH1A1 (0.35) EPHX1MAPK1ARG1ARG2ALDH1A1
SCHEMBL25554113 0.81 ARG1 (0.35) ARG1ARG2ALDH1A1
SCHEMBL1837224 0.81 KDM4E (0.48) EPHX1KDM4EMAPK1HIF1AMEN1
SCHEMBL15602554 0.80 ARG1 (0.37) EPHX1KDM4EMAPK1MEN1KMT2A
SCHEMBL21452622 0.80 KDM4E (0.65) EPHX1KDM4EMAPK1HIF1AMEN1
SCHEMBL381226 0.80 CYP2D6 (0.44) EPHX1KDM4EMAPK1HIF1AMEN1
SCHEMBL22299563 0.78 KDM4E (0.70) EPHX1KDM4EMAPK1HIF1AMEN1
SCHEMBL13402591 0.78 MEN1 (0.47) EPHX1KDM4EMAPK1HIF1AMEN1
SCHEMBL22837744 0.78 KDM4E (0.70) EPHX1KDM4EMAPK1HIF1AMEN1

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-11014891-B2 Reduction-triggered antibacterial sideromycins UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-05-25 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-11014891-B2 Reduction-triggered antibacterial sideromycins HAMP, SLC40A1, FTH1 EPHX1 4684/4885KDM4E 2741/4885MAPK1 4512/4885

“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.