SCHEMBL16684342

SCHEMBL16684342

CCCCCCCCCCCCN1c2cccc3c2C2c4c(cccc4N(c4cc(C(F)(F)F)ccc4O)c4cccc1c42)O3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.35
TP53 P04637 5/20 0.34
MAPK1 P28482 5/20 0.34
CYP1A2 P05177 3/20 0.34
ABCB1 P08183 3/20 0.34
HTR1A P08908 3/20 0.34
ADRA2A P08913 3/20 0.34
ADORA3 P0DMS8 3/20 0.34
CYP2D6 P10635 3/20 0.34
CHRM1 P11229 3/20 0.34
DRD1 P21728 3/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
ADRA1A P35348 3/20 0.34
DRD3 P35462 3/20 0.34
THPO P40225 3/20 0.34
MTOR P42345 3/20 0.34
SLC6A3 Q01959 3/20 0.34
KCNH2 Q12809 3/20 0.34
ABCB11 O95342 3/20 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
SCHEMBL18054315 0.88 SLC6A2 (0.36) FPR2TP53MAPK1CYP1A2ABCB1
SCHEMBL16684343 0.87 F2 (0.34) OPRM1MEN1KMT2ATDP1TLR8
SCHEMBL18052565 0.85 HSP90AA1 (0.41) CYP1A2CYP2D6TSHRLMNAMAPT
SCHEMBL16684373 0.85 F2 (0.37) MEN1KMT2ATDP1ALDH1A1F2
SCHEMBL18052566 0.84 HSP90AA1 (0.43) MAPK1CYP1A2CYP2D6TSHRLMNA
SCHEMBL16684344 0.82 DRD2 (0.35) DRD3TDP1ALDH1A1DRD2HRH1
SCHEMBL18052571 0.79 HSP90AA1 (0.40) MAPK1CYP1A2TSHRLMNAMAPT
SCHEMBL18054314 0.77 GHSR (0.36) FPR2DRD1DRD3LMNADRD2
SCHEMBL18054023 0.77 TP53 (0.32) FPR2TP53MAPK1CYP1A2ABCB1
SCHEMBL24533880 0.73 F2 (0.34) HTR1ADRD1DRD3OPRM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251369-A1 Azatriangulenium Salts As Pet-Quenched Fluorescent Probes Københavns Universitet (DK) 2016-09-01 US disclosed
WO-2015058777-A1 AZATRIANGULENIUM SALTS AS PET-QUENCHED FLUORESCENT PROBES Københavns Universitet (DK) 2015-04-30 WO 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-20160251369-A1 Azatriangulenium Salts As Pet-Quenched Fluorescent Probes SLC7A5, SLC16A7, KCNN1 FPR2 3275/4885TP53 3742/4885MAPK1 3576/4885

“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.