SCHEMBL13655235

SCHEMBL13655235

Nc1ncc(-c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.62
SCN3A Q9NY46 3/20 0.50
PTPN1 P18031 3/20 0.48
PTPN11 Q06124 3/20 0.48
PTPN6 P29350 1/20 0.46
AURKA O14965 2/20 0.45
KIT P10721 1/20 0.45
AURKB Q96GD4 1/20 0.45
MAOB P27338 1/20 0.44
DGAT1 O75907 1/20 0.44
SCN4A P35499 1/20 0.43
MASP2 O00187 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CDK2 P24941 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL13655269 0.87 SCN9A (0.59) SCN9ASCN3AKITSCN4AMASP2
SCHEMBL23812448 0.86 SCN9A (0.63) SCN9ASCN3APTPN1PTPN11SCN4A
SCHEMBL20169140 0.85 PTPN1 (0.48) SCN9APTPN1PTPN11PTPN6AURKA
SCHEMBL23812447 0.85 SCN9A (0.62) SCN9ASCN3AAURKAMAOBSCN4A
SCHEMBL20501048 0.80 SCN9A (0.64) SCN9ASCN3ASCN4AMASP2RAB9A
SCHEMBL28364786 0.78 SCN9A (0.62) SCN9ASCN3ASCN4AMASP2NPC1
SCHEMBL20169736 0.77 SCN9A (0.61) SCN9ASCN3AMASP2
SCHEMBL13655141 0.76 MASP2 (0.58) SCN9ASCN3AKITMASP2
SCHEMBL23812470 0.75 PTPN1 (0.46) PTPN1PTPN11PTPN6AURKAAURKB
SCHEMBL677476 0.75 MEN1 (0.67) PTPN1NPC1RAB9A

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 3773/4885PTPN1 1006/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS SCN9A 2854/4885SCN3A 3773/4885PTPN1 1006/4885

“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.