SCHEMBL17346189

SCHEMBL17346189

CCN(CCCNCCCSCc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
KCNH2 Q12809 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
DRD4 P21917 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 1/20 0.38
REN P00797 1/20 0.38

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
SCHEMBL17346199 0.91 SIGMAR1 (0.43) TSHRKCNH2LMNAKMT2AMEN1
SCHEMBL17346369 0.86 TSHR (0.46) TSHRKCNH2LMNADRD4KMT2A
SCHEMBL17346163 0.85 GAA (0.47) KCNH2LMNAGAACHRM2
SCHEMBL17346235 0.83 SIGMAR1 (0.46) LMNAALDH1A1SMN1; SMN2CHRM2
SCHEMBL17346251 0.83 KCNH2 (0.43) KCNH2ALDH1A1CHRM2REN
SCHEMBL17346324 0.83 KCNH2 (0.56) KCNH2KMT2AMEN1ALDH1A1CHRM2
SCHEMBL17346233 0.81 SIGMAR1 (0.45) CHRM2
SCHEMBL17346165 0.81 KCNH2 (0.46) KCNH2GAACHRM2
SCHEMBL17346170 0.81 KCNH2 (0.48) KCNH2LMNAKMT2AMEN1ALDH1A1
SCHEMBL17346065 0.81 APP (0.48) KCNH2CHRM2

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 TSHR 4074/4885KCNH2 1753/4885USP2 4424/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN TSHR 4074/4885KCNH2 1753/4885USP2 4424/4885

“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.