Sugi Predict

Sugi Predict / Compounds / SCHEMBL17346285

SCHEMBL17346285

SCHEMBL17346285

CCC(C)N(CC)CCN(CC)CCSc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ MAPT P10636 2/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CHRM2 P08172 3/20 0.35
▸ CHRM1 P11229 3/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ FDPS P14324 1/20 0.34
▸ CHRM4 P08173 2/20 0.33

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
SCHEMBL7061665 0.79 SLC2A1 (0.56) ALDH1A1MAPK1SLC2A1MAPTCHRM2
Hydrochloric Acid SCHEMBL11535429 0.78 SLC2A1 (0.55) ALDH1A1MAPK1SLC2A1MAPTCHRM2
SCHEMBL17345991 0.77 DRD2 (0.46) ALDH1A1MAPK1SLC2A1DRD3FDPS
SCHEMBL27010006 0.77 ALDH1A1 (0.48) ALDH1A1MAPK1SLC2A1MAOAMAOB
SCHEMBL17345917 0.75 SIGMAR1 (0.43) ALDH1A1MAPK1SLC2A1MAOBCHRM2
SCHEMBL24317410 0.72 MAPT (0.42) ALDH1A1SLC2A1MAPTCHRM2CHRM1
SCHEMBL24316161 0.72 ALDH1A1 (0.47) ALDH1A1MAPK1SLC2A1MAOAMAOB
SCHEMBL10702065 0.72 ALDH1A1 (0.42) ALDH1A1MAPK1SLC2A1MAPTCHRM2
SCHEMBL17346449 0.71 FDPS (0.47) ALDH1A1MAPK1MAOAMAOBSLC6A4
SCHEMBL17345898 0.69 FDPS (0.44) ALDH1A1CHRM2CHRM1SLC6A4ADRA2A

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 ALDH1A1 862/4885MAPK1 3913/4885SLC2A1 3147/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN ALDH1A1 862/4885MAPK1 3913/4885SLC2A1 3147/4885

“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.