Sugi Predict

Sugi Predict / Compounds / SCHEMBL17345971

SCHEMBL17345971

SCHEMBL17345971

c1ccc(CSCCNCCN(c2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ HPGD P15428 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP2C19 P33261 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 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
SCHEMBL17346228 0.99 KCNH2 (0.38) KCNH2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL17346363 0.88 SIGMAR1 (0.40) KCNH2ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL17346357 0.86 KCNH2 (0.38) KCNH2ALDH1A1HPGDKMT2AMEN1
SCHEMBL17346133 0.86 HPGD (0.40) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL17346136 0.84 ALDH1A1 (0.40) KCNH2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL17345886 0.84 HPGD (0.40) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL17346067 0.83 KMT2A (0.39) KCNH2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL17346142 0.82 KMT2A (0.40) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL17345896 0.82 HPGD (0.39) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL17346401 0.82 KMT2A (0.37) KCNH2ALDH1A1HPGDSMN1; SMN2LMNA

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 KCNH2 1753/4885ALDH1A1 862/4885HPGD 973/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN KCNH2 1753/4885ALDH1A1 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.