SCHEMBL17346378

SCHEMBL17346378

CCCCN(CCCC)CCNCCSCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SIGMAR1 Q99720 1/20 0.43
DRD2 P14416 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.41
KCNH2 Q12809 2/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL17346375 0.97 LMNA (0.46) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL17345883 0.94 KCNH2 (0.48) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL17346371 0.93 ACKR3 (0.45) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL17346428 0.91 ALDH1A1 (0.43) LMNAALDH1A1MEN1KMT2ADRD2
SCHEMBL17346191 0.89 SIGMAR1 (0.46) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL17345890 0.87 KDM4E (0.48) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL17345882 0.87 ALDH1A1 (0.44) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL17346175 0.86 SIGMAR1 (0.44) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL17345888 0.86 KCNH2 (0.41) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL17346447 0.86 OPRM1 (0.44) LMNAALDH1A1MEN1KMT2AKDM4E

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 LMNA 3058/4885ALDH1A1 862/4885MEN1 3121/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN LMNA 3058/4885ALDH1A1 862/4885MEN1 3121/4885

“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.