SCHEMBL18196767

SCHEMBL18196767

CCCCCCCCCCN(O)C(=O)CC[C@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 9/20 0.50
KDM5A P29375 8/20 0.50
PHF8 Q9UPP1 4/20 0.50
NOD1 Q9Y239 4/20 0.49
KDM5C P41229 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
KDM4A O75164 3/20 0.47
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45

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
SCHEMBL3804218 0.86 NOD1 (0.50) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL4541602 0.83 NOS1 (0.51) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL1376620 0.79 NOD1 (0.54) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL20816296 0.79 NOD1 (0.54) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL22499943 0.79 SLC1A2 (0.47) NOD1GRIK1GRIK2SLC1A2SLC1A1
D-Glutamate SCHEMBL27621314 0.78 GRIK1 (0.72) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL10387789 0.77 KDM4C (0.64) KDM4CKDM5APHF8KDM5CKDM5B
SCHEMBL29049662 0.77 KDM4C (0.69) KDM4CKDM5APHF8KDM5CKDM5B
SCHEMBL31749305 0.77 KDM4C (0.69) KDM4CKDM5APHF8KDM5CKDM5B
SCHEMBL8450995 0.77 KDM4C (0.69) KDM4CKDM5APHF8KDM5CKDM5B

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-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
US-20160319322-A1 PATHOGEN DETECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-11-03 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-20160368878-A1 REDUCTION-TRIGGERED ANTIBACTERIAL SIDEROMYCINS HAMP, SLC40A1, FTH1 KDM4C 2436/4885KDM5A 2574/4885PHF8 3489/4885

“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.