SCHEMBL4058872

SCHEMBL4058872

CN(C)CC#Cc1ccc(-c2cnc(NC(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 5/20 0.40
PTPN11 Q06124 1/20 0.39
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
NR1H2 P55055 3/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 1/20 0.34
TTK P33981 1/20 0.34
ATM Q13315 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
CYP17A1 P05093 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL4294645 0.89 PTPN11 (0.40) EGLN2PTPN11FGFR3KDRNR1H2
SCHEMBL4300346 0.89 FGFR3 (0.46) EGLN2FGFR3KDRNR1H2ATM
SCHEMBL4294605 0.86 PTPN11 (0.38) EGLN2PTPN11NR1H2GSK3BDYRK1A
SCHEMBL4062421 0.85 EGLN2 (0.41) EGLN2PTPN11NR1H2GABRA1GABRG2
SCHEMBL4298498 0.84 FFAR1 (0.39) EGLN2PTPN11NR1H2GABRA1GABRG2
SCHEMBL4297924 0.84 EGLN2 (0.41) EGLN2PTPN11NR1H2GSK3BDYRK1A
SCHEMBL4302269 0.82 EGLN2 (0.41) EGLN2PTPN11NR1H2GSK3BDYRK1A
SCHEMBL4054860 0.79 GABRG2 (0.44) EGLN2NR1H2GSK3BDYRK1AGABRG2
SCHEMBL13655228 0.79 KMT2A (0.42) NR1H2CYP17A1USP30
SCHEMBL4237042 0.79 NR1H2 (0.38) EGLN2PTPN11NR1H2GABRA1GABRG2

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 10 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-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-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
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 EGLN2 1097/4885PTPN11 773/4885FGFR3 505/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS EGLN2 1097/4885PTPN11 773/4885FGFR3 505/4885

“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.