SCHEMBL17346199

SCHEMBL17346199

CCCCN(CCCNCCCSCc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
CNR2 P34972 1/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
GFER P55789 2/20 0.41
TP53 P04637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL17346189 0.91 TSHR (0.44) MAPTLMNAKCNH2MEN1KMT2A
SCHEMBL17346450 0.90 CNR2 (0.42) SIGMAR1CNR2MAPTLMNANPSR1
SCHEMBL17346191 0.88 SIGMAR1 (0.46) SIGMAR1LMNAKCNH2MEN1KMT2A
SCHEMBL17346240 0.86 KDM4E (0.46) SIGMAR1
SCHEMBL17346175 0.85 SIGMAR1 (0.44) SIGMAR1LMNAKCNH2MEN1KMT2A
SCHEMBL17346170 0.85 KCNH2 (0.48) SIGMAR1LMNAHSD17B10KCNH2MEN1
SCHEMBL17346071 0.83 SIGMAR1 (0.42) SIGMAR1MAPTLMNATP53MEN1
SCHEMBL17346251 0.82 KCNH2 (0.43) SIGMAR1TDP1KCNH2ALDH1A1HPGD
SCHEMBL17346155 0.82 SIGMAR1 (0.43) SIGMAR1LMNAMEN1KMT2AALDH1A1
SCHEMBL17346324 0.82 KCNH2 (0.56) SIGMAR1KCNH2MEN1KMT2AALDH1A1

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 412/4885CNR2 1677/4885MAPT 4203/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN SIGMAR1 412/4885CNR2 1677/4885MAPT 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.