SCHEMBL13655565

SCHEMBL13655565

[N-]=[N+]=NCCNC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HIF1A Q16665 1/20 0.54
DRD2 P14416 2/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51

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
SCHEMBL14885044 0.82 LMNA (0.46) NPC1RAB9ASMN1; SMN2HIF1ALMNA
SCHEMBL25143249 0.80 HDAC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL13527273 0.80 SCN1A (0.50) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL13655554 0.79 HDAC1 (0.57) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL18087046 0.79 LMNA (0.43) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL15298855 0.79 SCN1A (0.46) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL24419849 0.79 SCN1A (0.46) NPC1RAB9ALMNAPOLBHDAC3
SCHEMBL13655549 0.79 RAB9A (0.57) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL6716169 0.77 NPC1 (0.66) NPC1RAB9ASMN1; SMN2HIF1ADRD2
SCHEMBL28113685 0.77 KMT2A (0.53) LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145395-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-09-29 US disclosed
US-9145395-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-09-29 US disclosed
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2013-05-23 US disclosed
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2013-05-23 US disclosed
US-8367713-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2013-02-05 US disclosed
US-8367713-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2013-02-05 US disclosed
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES MELANDER CHRISTIAN 2011-05-19 US disclosed
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES MELANDER CHRISTIAN 2011-05-19 US disclosed
US-7897631-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-01 US disclosed
US-7897631-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-01 US disclosed
WO-2009131654-A2 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-29 WO disclosed
US-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-22 US disclosed
US-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-22 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 (3 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-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 NPC1 3978/4885RAB9A 1395/4885SMN1; SMN2 4885/4885
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 NPC1 3978/4885RAB9A 1395/4885SMN1; SMN2 4885/4885
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 NPC1 3978/4885RAB9A 1395/4885SMN1; SMN2 4885/4885

“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.