SCHEMBL13655370

SCHEMBL13655370

Nc1ncc(-c2ccc(NC(=O)CCCCCBr)cc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.51
SCN3A Q9NY46 2/20 0.48
HDAC1 Q13547 8/20 0.46
HDAC6 Q9UBN7 8/20 0.46
HDAC3 O15379 7/20 0.46
HDAC2 Q92769 7/20 0.46
HDAC11 Q96DB2 6/20 0.46
HDAC8 Q9BY41 6/20 0.46
HDAC10 Q969S8 5/20 0.46
HDAC4 P56524 5/20 0.46
HDAC7 Q8WUI4 5/20 0.46
HDAC9 Q9UKV0 5/20 0.46
HDAC5 Q9UQL6 5/20 0.46
ERBB2 P04626 2/20 0.43
KDR P35968 2/20 0.43
NCOR2 Q9Y618 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL13663134 0.88 RAB9A (0.55) SCN9ASCN3AHDAC1HDAC6HDAC3
SCHEMBL13655245 0.86 SCN9A (0.54) SCN9ASCN3AHDAC1HDAC6HDAC3
SCHEMBL13655378 0.86 HDAC1 (0.51) SCN9ASCN3AHDAC1HDAC6HDAC3
SCHEMBL4054851 0.79 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC11
Hydrochloric Acid SCHEMBL4065852 0.78 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL30684793 0.78 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL30684784 0.78 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC11
SCHEMBL20501048 0.78 SCN9A (0.64) SCN9ASCN3AKDRMAPTRAB9A
SCHEMBL28364786 0.76 SCN9A (0.62) SCN9ASCN3AALDH1A1GAAMAPT
SCHEMBL20169736 0.75 SCN9A (0.61) SCN9ASCN3AMEN1ALDH1A1POLB

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 SCN9A 2854/4885SCN3A 3773/4885HDAC1 212/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS SCN9A 2854/4885SCN3A 3773/4885HDAC1 212/4885

“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.