SCHEMBL4296875

SCHEMBL4296875

COc1ccccc1C#Cc1ccccc1-c1cnc(NC(=O)OC(C)(C)C)n1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.36
CCNB2 O95067 1/20 0.36
PRKCB P05771 1/20 0.36
CDK1 P06493 1/20 0.36
LYN P07948 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
RPS6KA3 P51812 1/20 0.36
CCNA1 P78396 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
DRD2 P14416 3/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
MERTK Q12866 1/20 0.33
ALK Q9UM73 1/20 0.33
IDO1 P14902 3/20 0.33
PIK3CD O00329 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
SCHEMBL4235750 0.89 KDM4E (0.44) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL4242833 0.88 PTPN1 (0.35) IDO1FFAR1NR1H2
SCHEMBL4296852 0.88 FFAR1 (0.39) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL4301158 0.86 PTGES (0.36) ALKPIK3CDABL1EGFRKDR
SCHEMBL16866187 0.86 IDO1 (0.34) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL4059769 0.86 ACACB (0.35) PIK3CAPRKDCNR1H2
SCHEMBL4301152 0.84 GRM5 (0.42) CDK1PTGDR2KDRNR1H2
SCHEMBL4297916 0.84 GABRG2 (0.35) IDO1NR1H2
SCHEMBL4062422 0.82 TTK (0.38) GSK3BIDO1NR1H2
SCHEMBL4233655 0.80 GABRA1 (0.38) GSK3BIDO1NR1H2

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 8 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-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

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 PDPK1 1520/4885CCNB2 3841/4885PRKCB 1954/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS PDPK1 1520/4885CCNB2 3841/4885PRKCB 1954/4885

“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.