Sugi Predict

Sugi Predict / Compounds / SCHEMBL17346367

SCHEMBL17346367

SCHEMBL17346367

CCN(CCNCCSCc1ccccc1)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BCHE P06276 2/20 0.36
▸ ACHE P22303 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 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
SCHEMBL17346372 0.99 L3MBTL1 (0.39) GRIN2BALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL17346435 0.91 DRD3 (0.43) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL17346438 0.90 DRD3 (0.44) ALDH1A1HPGDLMNASMN1; SMN2L3MBTL1
SCHEMBL17346382 0.89 KMT2A (0.41) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL17346132 0.89 KMT2A (0.40) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL17346444 0.88 DRD3 (0.43) ALDH1A1HPGDLMNASMN1; SMN2L3MBTL1
SCHEMBL17346241 0.88 GRIN2B (0.41) GRIN2BL3MBTL1KMT2ABCHEACHE
SCHEMBL17346142 0.88 KMT2A (0.40) ALDH1A1HPGDLMNASMN1; SMN2MEN1
SCHEMBL17346152 0.87 GRIN2B (0.40) GRIN2BHPGDL3MBTL1KMT2ABCHE
SCHEMBL17346141 0.86 OPRM1 (0.42) ALDH1A1HPGDLMNASMN1; SMN2MAPT

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 GRIN2B 2436/4885ALDH1A1 862/4885HPGD 973/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN GRIN2B 2436/4885ALDH1A1 862/4885HPGD 973/4885

“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.