SCHEMBL4245463

SCHEMBL4245463

CC(C)(C)OC(=O)n1c(-c2cccc(NC(=O)C3=COC(Cc4ccccc4)O3)c2)cnc1N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 6/20 0.39
SCN4A P35499 3/20 0.39
SCN9A Q15858 3/20 0.38
NR1H2 P55055 3/20 0.38
HDAC1 Q13547 1/20 0.36
SCD O00767 1/20 0.36
PTPN11 Q06124 1/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NTSR1 P30989 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
FGFR3 P22607 2/20 0.34
KDR P35968 2/20 0.34
USP30 Q70CQ3 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL4294524 0.79 SCN9A (0.58) SCN3ASCN4ASCN9AMAPTNPSR1
SCHEMBL4243286 0.79 MGLL (0.54) NR1H2
SCHEMBL4298418 0.76 SCN9A (0.54) SCN3ASCN4ASCN9ANPSR1FGFR3
SCHEMBL4238357 0.75 SCN3A (0.48) SCN3ASCN4ASCN9AFGFR3KDR
SCHEMBL4055096 0.75 SCN9A (0.53) SCN9ANPSR1
SCHEMBL4063071 0.75 MEN1 (0.46) SCN3ASCN4APTPN11MAPTKDM4E
SCHEMBL4298890 0.74 MAPT (0.48) SCN3ASCN4AMAPTNPSR1TDP1
SCHEMBL4059876 0.74 PLK1 (0.48) SCN3ASCN4ANR1H2
SCHEMBL6814625 0.73 NAMPT (0.42) SCDNPSR1
SCHEMBL4066870 0.73 PLK1 (0.49) SCN3ASCN4ANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975857-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2018-05-22 US disclosed
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2015-07-02 US disclosed
US-9005643-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-04-14 US disclosed
US-20090270475-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-29 US disclosed
WO-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO 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 (2 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-20090270475-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS SCN3A 3773/4885SCN4A 4192/4885SCN9A 2854/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS SCN3A 3773/4885SCN4A 4192/4885SCN9A 2854/4885

“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.