SCHEMBL13655571

SCHEMBL13655571

[N-]=[N+]=NCCNC(=O)c1cc(Br)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
CREBBP Q92793 1/20 0.50
DAO P14920 2/20 0.48
VIP P01282 1/20 0.43
KCNA6 P17658 1/20 0.42
KCNA3 P22001 1/20 0.42
KCNA4 P22459 1/20 0.42
KCNA5 P22460 1/20 0.42
HRH3 Q9Y5N1 5/20 0.42
ADRA2A P08913 1/20 0.41
ADRA1D P25100 1/20 0.41
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
SCN9A Q15858 2/20 0.37
SCN3A Q9NY46 2/20 0.37
IDO1 P14902 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.35
SCN5A Q14524 1/20 0.34

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
SCHEMBL13659712 0.83 ALDH1A1 (0.35) PKMDAOALDH1A1KMT2A
SCHEMBL7845382 0.76 PKM (0.60) PKMCREBBPDAOVIPKCNA6
SCHEMBL13655570 0.75 KDM4E (0.52) KMT2A
SCHEMBL7843475 0.72 CREBBP (0.55) PKMCREBBPDAOVIPKCNA6
SCHEMBL13667095 0.71 PKM (0.38) PKMKMT2A
SCHEMBL23952430 0.71 CREBBP (0.67) PKMCREBBPDAOVIPKCNA6
SCHEMBL24080898 0.69 CREBBP (0.51) PKMCREBBPDAOVIPKCNA6
SCHEMBL15598660 0.69 PKM (0.48) PKMCREBBPDAOVIPKCNA6
Hydrochloric Acid SCHEMBL1518485 0.68 PKM (0.47) PKMCREBBPDAOVIPKCNA6
SCHEMBL13486628 0.68 HRH3 (0.62) PKMCREBBPDAOHRH3ADRA2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9351491-B2 Inhibition and dispersion of biofilms in plants with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2016-05-31 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-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-20130315874-A1 INHIBITION AND DISPERSION OF BIOFILMS IN PLANTS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2013-11-28 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-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-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
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
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 (4 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 PKM 3617/4885CREBBP 3621/4885DAO 885/4885
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 PKM 3617/4885CREBBP 3621/4885DAO 885/4885
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 PKM 3617/4885CREBBP 3621/4885DAO 885/4885
US-20130315874-A1 INHIBITION AND DISPERSION OF BIOFILMS IN PLANTS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES SOD1, APOBEC3A, CLPP PKM 4234/4885CREBBP 3889/4885DAO 18/4885

“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.