SCHEMBL17345965

SCHEMBL17345965

CSCCCNCCCN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PAOX Q6QHF9 1/20 0.37
KDM1A O60341 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ACE2 Q9BYF1 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPT P10636 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
SCHEMBL17345961 0.92 CARM1 (0.47) SCN5ACARM1PRMT6PRMT8HRH3
SCHEMBL17345967 0.84 PAOX (0.55) LMNASMN1; SMN2PAOXKDM1AALDH1A1
SCHEMBL18520145 0.83 HRH3 (0.52) CARM1PRMT6PRMT8HRH3SMN1; SMN2
SCHEMBL5910693 0.83 HRH3 (0.57) SCN5ACARM1PRMT6PRMT8HRH3
SCHEMBL17209067 0.81 HRH3 (0.56) CARM1PRMT6PRMT8HRH3SMN1; SMN2
SCHEMBL17526233 0.81 HRH3 (0.55) SCN5ACARM1PRMT6PRMT8HRH3
SCHEMBL5911217 0.81 HRH3 (0.62) SCN5ACARM1PRMT6PRMT8HRH3
SCHEMBL17526224 0.81 HRH3 (0.55) SCN5ACARM1PRMT6PRMT8HRH3
SCHEMBL17345962 0.80 CARM1 (0.50) CARM1PRMT6PRMT8HRH3KDM1A
SCHEMBL24132144 0.79

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 SCN5A 731/4885CARM1 2961/4885PRMT6 2562/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN SCN5A 731/4885CARM1 2961/4885PRMT6 2562/4885

“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.