SCHEMBL13655217

SCHEMBL13655217

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(-c2ccc(N=[N+]=[N-])cc2)n1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.35
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 1/20 0.34
TGFBR1 P36897 1/20 0.33
SYK P43405 1/20 0.33
PTGS2 P35354 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
NR1H3 Q13133 3/20 0.31
CYP3A4 P08684 1/20 0.31
TTK P33981 1/20 0.30

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
SCHEMBL13655089 0.83 NR1H2 (0.38) NR1H2GABRG2GABRB3GABRA5AAK1
SCHEMBL24176651 0.82 NR1H2 (0.38) NR1H2GABRG2GABRB3GABRA5AAK1
SCHEMBL13655104 0.79 SYK (0.39) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL10117875 0.76 NPC1 (0.35) NR1H2AAK1GPR119NR1H3TTK
SCHEMBL13663132 0.76 PTPN1 (0.53)
SCHEMBL24176646 0.75 HDAC2 (0.35) NR1H2GABRG2GABRB3GABRA5AAK1
SCHEMBL24176648 0.74 FYN (0.39) NR1H2NR1H3TTK
SCHEMBL24176882 0.74 CFTR (0.38) NR1H2TTK
SCHEMBL10117696 0.74 NR1H2 (0.37) NR1H2AAK1GABRA2NR1H3
SCHEMBL10117698 0.74 IDO1 (0.41) NR1H2AAK1GPR119NR1H3

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 7 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-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-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 NR1H2 4717/4885GABRG2 2190/4885GABRB3 1623/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS NR1H2 4717/4885GABRG2 2190/4885GABRB3 1623/4885

“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.