SCHEMBL17346019

SCHEMBL17346019

CC(C)N(CCCSc1ccccc1)CCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A4 P31645 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SLC2A1 P11166 1/20 0.38
HTR7 P34969 2/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
HTR1A P08908 1/20 0.38
KMT2A Q03164 1/20 0.37
SERPINE1 P05121 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11534561 0.83 ALDH1A1 (0.56) FDPSALDH1A1MAPK1SLC2A1HTR7
SCHEMBL17346206 0.80 FDPS (0.57) FDPSALDH1A1MAPK1SLC2A1HTR7
Methylamine SCHEMBL9871536 0.80 ALDH1A1 (0.52) FDPSALDH1A1MAPK1SLC6A4SLC2A1
SCHEMBL10226109 0.78 ALDH1A1 (0.54) FDPSALDH1A1MAPK1HTR7HTR2A
SCHEMBL17345928 0.77 FDPS (0.57) FDPSALDH1A1MAPK1SLC2A1HTR7
SCHEMBL17346018 0.76 ALDH1A1 (0.44) FDPSALDH1A1MAPK1SLC2A1HTR7
SCHEMBL24316161 0.76 ALDH1A1 (0.47) FDPSALDH1A1MAPK1SLC6A4MAOA
SCHEMBL5174350 0.75 ALDH1A1 (0.61) FDPSALDH1A1MAPK1SLC6A4HTR7
SCHEMBL17346195 0.75 DRD2 (0.46) FDPSALDH1A1MAPK1MAOAMAOB
SCHEMBL17346123 0.74 CALM1 (0.49) FDPSALDH1A1MAPK1SLC6A4SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis TRIAD NATIONAL SECURITY, LLC (US) 2020-02-04 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
WO-2015191505-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2015-12-17 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 (2 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-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS NANS, NCL, NCLN FDPS 123/4885ALDH1A1 862/4885MAPK1 3913/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN FDPS 123/4885ALDH1A1 862/4885MAPK1 3913/4885

“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.