SCHEMBL5649717

SCHEMBL5649717

COc1ccc2nccc(OCC3CCC(NC(=O)O)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
DDR2 Q16832 2/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDR P35968 3/20 0.47
AURKA O14965 2/20 0.47
MET P08581 2/20 0.47
TEK Q02763 2/20 0.47
CYP1A2 P05177 1/20 0.47
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
ABL1 P00519 2/20 0.44
AURKB Q96GD4 2/20 0.44
LCK P06239 1/20 0.44
LYN P07948 1/20 0.44
FGR P09769 1/20 0.44
KIT P10721 2/20 0.44
PDGFRA P16234 2/20 0.44
IRAK4 Q9NWZ3 2/20 0.44

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
SCHEMBL13145838 0.87 DDR2 (0.44) LMNADDR2KDM4EKDRAURKA
SCHEMBL3250749 0.86 LMNA (0.52) LMNADDR2KDM4EMAPK1NPSR1
SCHEMBL3250752 0.86 LMNA (0.52) LMNADDR2KDM4EMAPK1NPSR1
SCHEMBL3694768 0.84 LMNA (0.46) LMNADDR2KDM4EMAPK1NPSR1
SCHEMBL3692448 0.81 KDM4E (0.46) LMNADDR2KDM4EMAPK1NPSR1
SCHEMBL3692451 0.81 KDM4E (0.46) LMNADDR2KDM4EMAPK1NPSR1
SCHEMBL3694771 0.80 LMNA (0.48) LMNADDR2KDM4EMAPK1NPSR1
SCHEMBL3244126 0.77 KCNH2 (0.49) LMNADDR2KDM4EMAPK1NPSR1
SCHEMBL29878581 0.75 LMNA (0.62) LMNADDR2KDM4EMAPK1NPSR1
SCHEMBL28670159 0.75 LMNA (0.62) LMNADDR2KDM4EMAPK1NPSR1

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-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 LMNA 4060/4885DDR2 3974/4885KDM4E 3555/4885

“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.