SCHEMBL17345889

SCHEMBL17345889

CC(C)N(C)CCNCCSCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 7/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 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
SCHEMBL17345879 0.87 SIGMAR1 (0.40) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL17346238 0.86 SIGMAR1 (0.39) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL17345877 0.84 ALDH1A1 (0.46) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL17346429 0.83 KMT2A (0.42) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL17346225 0.83 OPRK1 (0.44) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL17345891 0.83 MEN1 (0.42) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL17346128 0.83 ALDH1A1 (0.45) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL17346360 0.82 MEN1 (0.41) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL17346377 0.81 MEN1 (0.40) MEN1KMT2AMAPTPOLBTDP1
SCHEMBL17345884 0.81 ALDH1A1 (0.43) MEN1KMT2AMAPTPOLBTDP1

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.