Sugi Predict

Sugi Predict / Compounds / SCHEMBL17346409

SCHEMBL17346409

SCHEMBL17346409

CCN(C)CCN(C)CCSCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ SIGMAR1 Q99720 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ PRMT8 Q9NR22 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ SLC6A2 P23975 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
SCHEMBL17345907 0.93 SIGMAR1 (0.45) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17346411 0.90 SIGMAR1 (0.51) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17346443 0.88 TAAR1 (0.47) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17346419 0.87 SIGMAR1 (0.49) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17346440 0.86 TSHR (0.44) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17346314 0.83 SIGMAR1 (0.41) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17346423 0.82 SIGMAR1 (0.41) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17345900 0.81 SIGMAR1 (0.47) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17345884 0.81 ALDH1A1 (0.43) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17346348 0.81 BCHE (0.41) SIGMAR1ALDH1A1CARM1PRMT6PRMT8

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 CYP2C19 4732/4885CYP1A2 3619/4885CYP3A4 2814/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN CYP2C19 4732/4885CYP1A2 3619/4885CYP3A4 2814/4885

“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.