SCHEMBL13655240

SCHEMBL13655240

Nc1ncc(-c2cccc(NC(=O)C3CCC3)c2)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.57
SCN3A Q9NY46 3/20 0.53
SCN9A Q15858 2/20 0.53
SCN4A P35499 1/20 0.53
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
JAK2 O60674 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.47
BRAF P15056 1/20 0.47
GSK3B P49841 2/20 0.47
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4301688 0.97 HPGD (0.55) MAP4K4SCN3ASCN9ASCN4AUSP2
Hydrochloric Acid SCHEMBL4306148 0.95 SCN3A (0.54) MAP4K4SCN3ASCN9ASCN4AUSP2
SCHEMBL13663135 0.85 SCN3A (0.69) MAP4K4SCN3ASCN9APOLBHPGD
SCHEMBL20501030 0.82 SCN9A (0.61) MAP4K4SCN3ASCN9ASCN4APDGFRB
SCHEMBL28368753 0.81 SCN9A (0.60) SCN3ASCN9ASCN4APOLBSMN1; SMN2
SCHEMBL20501028 0.81 MAP4K4 (0.57) MAP4K4SCN3ASCN9ASCN4APOLB
SCHEMBL13655206 0.80 SCN3A (0.69) SCN3ASCN9AGSK3BKMT2A
SCHEMBL4054829 0.79 ALDH1A1 (0.55) SCN3ASCN9ASCN4ASMN1; SMN2NPSR1
SCHEMBL20501076 0.79 SCN9A (0.61) SCN3ASCN9ASCN4APOLBBRAF
Hydrochloric Acid SCHEMBL4294812 0.78 ALDH1A1 (0.54) SCN3ASCN9ASCN4ASMN1; SMN2NPSR1

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 MAP4K4 2787/4885SCN3A 3773/4885SCN9A 2854/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS MAP4K4 2787/4885SCN3A 3773/4885SCN9A 2854/4885

“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.