SCHEMBL17346161

SCHEMBL17346161

CN(CCCNCCCSCc1ccccc1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.59
TMEM97 Q5BJF2 8/20 0.59
ACKR3 P25106 4/20 0.48
APP P05067 1/20 0.46
ACHE P22303 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRMT8 Q9NR22 1/20 0.45

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
SCHEMBL17346235 0.89 SIGMAR1 (0.46) SIGMAR1TMEM97
SCHEMBL17346116 0.87 SIGMAR1 (0.50) SIGMAR1TMEM97
SCHEMBL17346240 0.87 KDM4E (0.46) SIGMAR1TMEM97
SCHEMBL17346233 0.87 SIGMAR1 (0.45) SIGMAR1TMEM97
SCHEMBL17345880 0.85 CARM1 (0.47) SIGMAR1TMEM97ACKR3CARM1PRMT6
SCHEMBL17346164 0.85 REN (0.44) SIGMAR1TMEM97
SCHEMBL17346065 0.83 APP (0.48) ACKR3APPACHE
SCHEMBL17345915 0.83 SIGMAR1 (0.43) SIGMAR1TMEM97
SCHEMBL17346251 0.83 KCNH2 (0.43) SIGMAR1TMEM97
SCHEMBL17346049 0.82 ACKR3 (0.47) SIGMAR1TMEM97ACKR3

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 SIGMAR1 412/4885TMEM97 2166/4885ACKR3 1678/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN SIGMAR1 412/4885TMEM97 2166/4885ACKR3 1678/4885

“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.