SCHEMBL13655542

SCHEMBL13655542

[N-]=[N+]=NCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MAPK1 P28482 2/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ GBA1 P04062 1/20 0.45

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
SCHEMBL13527120 0.83 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL13527228 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL13527117 0.80 MEN1 (0.56) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL8349568 0.79 ALDH1A1 (0.79) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL8851811 0.79 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL14567921 0.79 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL8851633 0.76 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL21597956 0.75 CYP3A4 (0.57) ALDH1A1KDM4ELMNASMN1; SMN2MAPK1
SCHEMBL10453840 0.75 ALDH1A1 (0.96) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL8851482 0.75 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAPKMSMN1; SMN2

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 ALDH1A1 3079/4885KDM4E 1639/4885LMNA 4150/4885
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 ALDH1A1 3079/4885KDM4E 1639/4885LMNA 4150/4885
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 ALDH1A1 3079/4885KDM4E 1639/4885LMNA 4150/4885

“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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