SCHEMBL14656704

SCHEMBL14656704

[N-]=[N+]=NCCCNc1ncccn1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.47
FDPS P14324 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
SLC47A1 Q96FL8 1/20 0.32
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL14656440 0.95 ALDH1A1 (0.52) ALDH1A1HPGDFDPSKDM4EHTR1A
SCHEMBL14656287 0.93 ALDH1A1 (0.50) ALDH1A1HPGDFDPSKDM4EHTR1A
SCHEMBL14656528 0.93 ALDH1A1 (0.50) ALDH1A1HPGDFDPSKDM4EHTR1A
SCHEMBL14656661 0.93 ALDH1A1 (0.50) ALDH1A1HPGDFDPSKDM4EHTR1A
SCHEMBL14656337 0.93 ALDH1A1 (0.50) ALDH1A1HPGDFDPSKDM4EHTR1A
SCHEMBL14656566 0.93 ALDH1A1 (0.50) ALDH1A1HPGDFDPSKDM4EHTR1A
SCHEMBL14656567 0.93 ALDH1A1 (0.50) ALDH1A1HPGDFDPSKDM4EHTR1A
SCHEMBL14656484 0.93 ALDH1A1 (0.50) ALDH1A1HPGDFDPSKDM4EHTR1A
SCHEMBL14656506 0.93 ALDH1A1 (0.50) ALDH1A1HPGDFDPSKDM4EHTR1A
SCHEMBL14656533 0.93 ALDH1A1 (0.50) ALDH1A1HPGDFDPSKDM4EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906915-B2 Compounds, compositions, and methods for controlling biofilms KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-12-09 US claimed
US-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-01-31 US claimed
US-8906915-B2 Compounds, compositions, and methods for controlling biofilms KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-12-09 US disclosed
US-8906915-B2 Compounds, compositions, and methods for controlling biofilms KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-12-09 US disclosed
US-8906915-B2 Compounds, compositions, and methods for controlling biofilms KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-12-09 US disclosed
US-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-01-31 US disclosed
US-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-01-31 US disclosed
US-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-01-31 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 (1 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-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS AZI2, NOD1, AADAC ALDH1A1 373/4885HPGD 620/4885FDPS 276/4885

“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.