SCHEMBL13655220

SCHEMBL13655220

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(-c2ccc(NC(=O)CCCCl)cc2)n1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.43
HDAC3 O15379 9/20 0.43
NCOR2 Q9Y618 1/20 0.43
NR1H2 P55055 2/20 0.42
HDAC1 Q13547 9/20 0.40
HDAC2 Q92769 9/20 0.40
HDAC6 Q9UBN7 8/20 0.37
HDAC10 Q969S8 7/20 0.37
HDAC4 P56524 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
AAK1 Q2M2I8 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
SCHEMBL16866190 0.83 WNT3A (0.42) HDAC8HDAC3NCOR2NR1H2MEN1
SCHEMBL13663133 0.82 SMN1; SMN2 (0.46) NR1H2CA1CA2SMN1; SMN2MEN1
SCHEMBL13663132 0.82 PTPN1 (0.53) HDAC8PTPN2PTPN1PTPN6MEN1
SCHEMBL13655241 0.79 SMN1; SMN2 (0.36) NR1H2SMN1; SMN2PTPN2PTPN1PTPN6
SCHEMBL24176651 0.78 NR1H2 (0.38) NR1H2AAK1
SCHEMBL13655215 0.78 TRPV1 (0.43) NR1H2
SCHEMBL4064859 0.75 RAB9A (0.47) HDAC8HDAC3NCOR2NR1H2HDAC1
SCHEMBL10117875 0.74 NPC1 (0.35) NR1H2SMN1; SMN2AAK1MEN1KMT2A
SCHEMBL4055538 0.74 HDAC8 (0.44) HDAC8HDAC3NCOR2NR1H2HDAC1
SCHEMBL13655217 0.73 NR1H2 (0.35) NR1H2AAK1

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-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 HDAC8 412/4885HDAC3 314/4885NCOR2 2329/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS HDAC8 412/4885HDAC3 314/4885NCOR2 2329/4885

“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.