SCHEMBL12559783

SCHEMBL12559783

Nc1nc2c([nH]1)CC(CNC(=O)c1ccc[nH]1)C(CNC(=O)c1ccc[nH]1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.51
▸ SCN5A Q14524 1/20 0.51
▸ SCN3A Q9NY46 1/20 0.51
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NT5E P21589 1/20 0.43
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL12597860 1.00 SCN9A (0.51) SCN9ASCN5ASCN3AMEN1KMT2A
SCHEMBL12559778 0.82 HPGD (0.40) KDM4E
SCHEMBL12855200 0.80 VIP (0.40) SCN9ASCN5ASCN3A
SCHEMBL12597859 0.80 VIP (0.54) SCN9ASCN5ASCN3A
SCHEMBL12852189 0.79 SCN9A (0.53) SCN9ASCN3ANT5E
SCHEMBL12598739 0.77 SCN9A (0.43) SCN9ASCN5ASCN3ANT5E
SCHEMBL12855198 0.75 VIP (0.49) SCN9ASCN5ASCN3A
SCHEMBL13803868 0.72 SCN9A (0.47) SCN9ASCN3ANT5E
SCHEMBL12764696 0.72 CBLB (0.30) —
SCHEMBL12598740 0.71 VIP (0.45) SCN9ASCN5ASCN3A

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 24 patents — showing the first 20. 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-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-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-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-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-8653124-B2 Inhibition of bacterial biofilms with imidazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2014-02-18 — — US disclosed
US-20110150819-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES MELANDER CHRISTIAN 2011-06-23 — — 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 (5 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 SCN9A 2740/4885SCN5A 3192/4885SCN3A 3660/4885
US-20140079808-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT SCN9A 1732/4885SCN5A 3920/4885SCN3A 3664/4885
US-20110150819-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB SCN9A 2740/4885SCN5A 3192/4885SCN3A 3660/4885
US-20140127273-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB SCN9A 2740/4885SCN5A 3192/4885SCN3A 3660/4885
US-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT SCN9A 1732/4885SCN5A 3920/4885SCN3A 3664/4885

“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.

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