SCHEMBL12598151

SCHEMBL12598151

NC/C=C/c1cnc(N)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.48
KCNA6 P17658 9/20 0.46
KCNA3 P22001 9/20 0.46
KCNA4 P22459 9/20 0.46
KCNA5 P22460 3/20 0.46
NT5E P21589 2/20 0.46
KCNA2 P16389 1/20 0.46
MAP2K1 Q02750 1/20 0.46
AOC3 Q16853 1/20 0.34
MASP2 O00187 1/20 0.33

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
SCHEMBL12598150 0.85 KCNA6 (0.44) AOC1KCNA6KCNA3KCNA4KCNA5
SCHEMBL13074314 0.75 KCNA6 (0.52) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL8050370 0.70
SCHEMBL12425711 0.65
SCHEMBL1853377 0.63 AOC1 (0.38) AOC1
SCHEMBL3655766 0.61
SCHEMBL3435673 0.60 CYP2A6 (0.55) KCNA6KCNA3KCNA4AOC3
SCHEMBL1853873 0.60 CTH (0.36) AOC1
SCHEMBL12598174 0.60 AOC1 (0.40) AOC1
SCHEMBL1855202 0.60 AOC1 (0.36) AOC1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9084423-B2 Inhibition of bacterial biofilms with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-07-21 US disclosed
US-8927029-B2 Inhibition of biofilms in plants with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-01-06 US disclosed
US-20140127273-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2014-05-08 US disclosed
US-20140079808-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2014-03-20 US disclosed
US-8653124-B2 Inhibition of bacterial biofilms with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2014-02-18 US disclosed
US-20120328577-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES MELANDER CHRISTIAN (US) 2012-12-27 US disclosed
US-8278340-B2 Inhibition of biofilms in plants with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2012-10-02 US disclosed
US-8278340-B2 Inhibition of biofilms in plants with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2012-10-02 US disclosed
US-20110150819-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES MELANDER CHRISTIAN 2011-06-23 US disclosed
US-7906544-B2 Dentifrices; stents; catheters; grafts NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-15 US disclosed
US-7906544-B2 Dentifrices; stents; catheters; grafts NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-15 US disclosed
US-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-04 US disclosed
US-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-04 US disclosed
WO-2009070304-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-04 WO disclosed
WO-2008094479-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2008-08-07 WO disclosed
US-20080181923-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY 2008-07-31 US disclosed
US-20080181923-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY 2008-07-31 US 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 (6 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-20080181923-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB AOC1 1885/4885KCNA6 2338/4885KCNA3 2208/4885
US-20140079808-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT AOC1 20/4885KCNA6 1802/4885KCNA3 2360/4885
US-20120328577-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT AOC1 20/4885KCNA6 1802/4885KCNA3 2360/4885
US-20110150819-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB AOC1 1885/4885KCNA6 2338/4885KCNA3 2208/4885
US-20140127273-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB AOC1 1885/4885KCNA6 2338/4885KCNA3 2208/4885
US-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT AOC1 20/4885KCNA6 1802/4885KCNA3 2360/4885

“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.