SCHEMBL13655104

SCHEMBL13655104

CC(C)(C)OC(=O)Nc1ncc(-c2ccc(N=[N+]=[N-])cc2)n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
NR1H2 P55055 4/20 0.35
EGLN2 Q96KS0 1/20 0.35
TGFBR1 P36897 1/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CYP3A4 P08684 1/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 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
NOS1 P29475 1/20 0.33
CYP17A1 P05093 2/20 0.33
PTGS2 P35354 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
MAP4K4 O95819 1/20 0.32
STAT3 P40763 1/20 0.32

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) SYKNR1H2TGFBR1CYP3A4GABRG2
SCHEMBL4054860 0.82 GABRG2 (0.44) NR1H2EGLN2GSK3BDYRK1AGABRG2
SCHEMBL13655228 0.82 KMT2A (0.42) NR1H2CYP17A1
SCHEMBL13663124 0.82 CNR2 (0.42) NR1H2
SCHEMBL13655217 0.79 NR1H2 (0.35) SYKNR1H2TGFBR1CYP3A4GABRG2
SCHEMBL4062421 0.78 EGLN2 (0.41) NR1H2EGLN2GABRG2GABRB3GABRA5
SCHEMBL4297924 0.77 EGLN2 (0.41) NR1H2EGLN2GSK3BDYRK1AGABRG2
SCHEMBL4294645 0.76 PTPN11 (0.40) NR1H2EGLN2GSK3BDYRK1AGABRG2
SCHEMBL4302269 0.75 EGLN2 (0.41) SYKNR1H2EGLN2GSK3BDYRK1A
SCHEMBL4055209 0.74 GABRG2 (0.43) SYKNR1H2EGLN2GSK3BDYRK1A

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 SYK 27/4885NR1H2 4717/4885EGLN2 1097/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS SYK 27/4885NR1H2 4717/4885EGLN2 1097/4885

“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.