SCHEMBL17346377

SCHEMBL17346377

CCC(C)N(CCNCCSCc1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 8/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 3/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL17346167 0.95 ALDH1A1 (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17345879 0.85 SIGMAR1 (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17345892 0.84 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17346376 0.84 ALDH1A1 (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17346060 0.83 OPRK1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17346099 0.83 ALDH1A1 (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17346104 0.82 ALDH1A1 (0.37) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17345891 0.81 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17346381 0.81 SIGMAR1 (0.38) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17345889 0.81 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1LMNA

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 MEN1 3121/4885KMT2A 4514/4885MAPT 4203/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN MEN1 3121/4885KMT2A 4514/4885MAPT 4203/4885

“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.