SCHEMBL13655248

SCHEMBL13655248

Nc1ncc(-c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.62
SCN9A Q15858 1/20 0.62
SCN3A Q9NY46 1/20 0.62
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 1/20 0.50
GAA P10253 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CASP3 P42574 1/20 0.47
P2RX1 P51575 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL13664650 0.81 SCN9A (0.64) SCN4ASCN9ASCN3AHTTSMN1; SMN2
SCHEMBL20500991 0.80 MEN1 (0.58) SCN4ASCN9ASCN3AMEN1KMT2A
SCHEMBL20501030 0.78 SCN9A (0.61) SCN4ASCN9ASCN3AMAPT
SCHEMBL20501076 0.77 SCN9A (0.61) SCN4ASCN9ASCN3AMEN1KMT2A
SCHEMBL28368753 0.77 SCN9A (0.60) SCN4ASCN9ASCN3AMEN1KMT2A
SCHEMBL14018737 0.77 MEN1 (0.70) MEN1KMT2AHTTSMN1; SMN2RAB9A
SCHEMBL13655269 0.75 SCN9A (0.59) SCN4ASCN9ASCN3AMEN1KMT2A
SCHEMBL27922682 0.75 MEN1 (0.70) MEN1KMT2AHTTSMN1; SMN2RAB9A
SCHEMBL5665828 0.75 KMT2A (0.74) MEN1KMT2AHTTSMN1; SMN2RAB9A
SCHEMBL13655257 0.74 MAPT (0.58) 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 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-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
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 SCN4A 4192/4885SCN9A 2854/4885SCN3A 3773/4885
US-20150183746-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES TFPI, O60361, PGLS SCN4A 4192/4885SCN9A 2854/4885SCN3A 3773/4885

“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.