SCHEMBL12598583

SCHEMBL12598583

Nc1ncc(Cc2ccc(O)cc2)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.69
MAOB P27338 2/20 0.48
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR3A P46098 1/20 0.39
BACE1 P56817 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABAT P80404 1/20 0.38
CA2 P00918 1/20 0.36

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
SCHEMBL12598581 0.81 AOC3 (1.00) AOC3MAOBBACE1TAAR1HRH3
SCHEMBL10567513 0.79 ESR1 (0.45) AOC3ESR1ESR2KDM4EALDH1A1
SCHEMBL20204597 0.70 CAPN1 (0.55) AOC3KDM4EALDH1A1
SCHEMBL21707884 0.70 CAPN1 (0.74) AOC3ESR1ESR2ALDH1A1
SCHEMBL216691 0.70
SCHEMBL18130901 0.68 MASP2 (0.66) AOC3ESR1ESR2KMT2A
SCHEMBL224617 0.67 AOC3 (0.73) AOC3MAOBALDH1A1BACE1TAAR1
SCHEMBL16431630 0.66 ESR1 (0.59) ESR1ESR2SLC6A2TAAR1ABAT
SCHEMBL3445980 0.66
SCHEMBL36454 0.66 ESR1 (1.00) ESR1ESR2KDM4EALDH1A1HTR1A

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 AOC3 3028/4885MAOB 333/4885ESR1 3874/4885
US-20140079808-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT AOC3 84/4885MAOB 215/4885ESR1 2411/4885
US-20120328577-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT AOC3 84/4885MAOB 215/4885ESR1 2411/4885
US-20110150819-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB AOC3 3028/4885MAOB 333/4885ESR1 3874/4885
US-20140127273-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB AOC3 3028/4885MAOB 333/4885ESR1 3874/4885
US-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT AOC3 84/4885MAOB 215/4885ESR1 2411/4885

“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.