SCHEMBL13655378

SCHEMBL13655378

Nc1ncc(-c2cccc(NC(=O)CCCCCBr)c2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.51
HDAC6 Q9UBN7 14/20 0.51
SCN4A P35499 1/20 0.51
SCN9A Q15858 1/20 0.51
SCN3A Q9NY46 1/20 0.51
HDAC3 O15379 12/20 0.47
HDAC2 Q92769 10/20 0.47
HDAC10 Q969S8 10/20 0.47
HDAC8 Q9BY41 10/20 0.47
HDAC11 Q96DB2 7/20 0.47
HDAC4 P56524 7/20 0.47
HDAC7 Q8WUI4 6/20 0.47
HDAC9 Q9UKV0 6/20 0.47
HDAC5 Q9UQL6 6/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
BRD4 O60885 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL13655270 0.89 ABL1 (0.52) HDAC1HDAC6SCN4ASCN9ASCN3A
SCHEMBL13655370 0.86 SCN9A (0.51) HDAC1HDAC6SCN9ASCN3AHDAC3
SCHEMBL20501030 0.80 SCN9A (0.61) SCN4ASCN9ASCN3ATP53MAPT
SCHEMBL4054829 0.79 ALDH1A1 (0.55) SCN4ASCN9ASCN3AMEN1KMT2A
SCHEMBL28368753 0.79 SCN9A (0.60) SCN4ASCN9ASCN3AMEN1KMT2A
Hydrochloric Acid SCHEMBL4294812 0.78 ALDH1A1 (0.54) SCN4ASCN9ASCN3AMEN1KMT2A
SCHEMBL4054851 0.78 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC10
Hydrochloric Acid SCHEMBL4065852 0.77 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL20501076 0.77 SCN9A (0.61) SCN4ASCN9ASCN3AMEN1KMT2A
SCHEMBL20500943 0.76 SCN9A (0.55) SCN4ASCN9ASCN3AMEN1KMT2A

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 9 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-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 HDAC1 212/4885HDAC6 256/4885SCN4A 4192/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS HDAC1 212/4885HDAC6 256/4885SCN4A 4192/4885

“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.