Sugi Predict

Sugi Predict / Compounds / SCHEMBL17345898

SCHEMBL17345898

SCHEMBL17345898

CCC(C)N(CCN(C)CCCSc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 2/20 0.44
▸ SIGMAR1 Q99720 6/20 0.43
▸ ATM Q13315 1/20 0.42
▸ ACKR3 P25106 1/20 0.41
▸ BCHE P06276 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ADRA2B P18089 2/20 0.37
▸ ADRA2C P18825 2/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ SLC22A2 O15244 1/20 0.37
▸ SLC22A1 O15245 1/20 0.37
▸ SLC22A3 O75751 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ CHRM2 P08172 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
SCHEMBL17345917 0.88 SIGMAR1 (0.43) FDPSSIGMAR1ATMACKR3BCHE
SCHEMBL17345912 0.80 FDPS (0.41) FDPSSIGMAR1ALDH1A1SMN1; SMN2TSHR
SCHEMBL17345897 0.80 FDPS (0.46) FDPSSIGMAR1ATMACKR3ALDH1A1
SCHEMBL17345910 0.79 FDPS (0.40) FDPSSIGMAR1BCHEALDH1A1TSHR
SCHEMBL17345982 0.78 FDPS (0.47) FDPSSIGMAR1ACKR3BCHETSHR
SCHEMBL17346074 0.76 FDPS (0.56) FDPSSIGMAR1ACKR3ALDH1A1CYP1A2
SCHEMBL7440692 0.75 SIGMAR1 (0.62) FDPSSIGMAR1SLC6A2SLC6A3CYP1A2
SCHEMBL17346206 0.75 FDPS (0.57) FDPSSIGMAR1ALDH1A1HTR1AMEN1
SCHEMBL17345908 0.74 ALDH1A1 (0.38) ATMBCHEALDH1A1SMN1; SMN2TSHR
SCHEMBL17346449 0.74 FDPS (0.47) FDPSSIGMAR1ALDH1A1HTR1AKDM4E

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 123/4885SIGMAR1 412/4885ATM 2293/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN FDPS 123/4885SIGMAR1 412/4885ATM 2293/4885

“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.