SCHEMBL12855201

SCHEMBL12855201

CC(=O)CCCc1c[nH]c(N)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.34
BACE1 P56817 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MGMT P16455 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL12598559 0.86 MPO (0.38) BACE1ALDH1A1
SCHEMBL12559895 0.84 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1518431 0.83 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2
SCHEMBL8261348 0.80 MGMT (0.33) BACE1MGMT
SCHEMBL5924367 0.78 NOS2 (0.46) BACE1SMN1; SMN2
SCHEMBL474833 0.77 KCNH2 (0.46) BACE1ALDH1A1
SCHEMBL926964 0.77 HSD17B10 (0.45) ALDH1A1
SCHEMBL23164498 0.76 KDM4E (0.41) ALDH1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1518262 0.75 HPGD (0.50) ALDH1A1HTTSMN1; SMN2
SCHEMBL16268870 0.75 TBXAS1 (0.41) PAOXPDE4APDE4BPDE4CPDE4D

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 7 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-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-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-06-04 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-20140079808-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT PAOX 1646/4885BACE1 1191/4885PDE4A 3694/4885
US-20120328577-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT PAOX 1646/4885BACE1 1191/4885PDE4A 3694/4885
US-20140127273-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES O60361, TFPI, BLVRB PAOX 4632/4885BACE1 3382/4885PDE4A 1717/4885
US-20090143230-A1 INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES ITPA, SOD1, ICMT PAOX 1646/4885BACE1 1191/4885PDE4A 3694/4885

“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.