SCHEMBL17345899

SCHEMBL17345899

CN(C)CCCNCCSCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL17346233 0.94 SIGMAR1 (0.45) SIGMAR1KDM4ETAAR1PKM
SCHEMBL17345877 0.90 ALDH1A1 (0.46) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL17345915 0.87 SIGMAR1 (0.43) SIGMAR1POLBTDP1ALDH1A1HPGD
SCHEMBL8624587 0.81 ALDH1A1 (0.56) SIGMAR1TDP1ALDH1A1HPGDLMNA
SCHEMBL17346235 0.81 SIGMAR1 (0.46) SIGMAR1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL17346161 0.81 SIGMAR1 (0.59) SIGMAR1
SCHEMBL17346251 0.81 KCNH2 (0.43) SIGMAR1POLBTDP1ALDH1A1HPGD
SCHEMBL17345887 0.80 POLB (0.46) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL17345884 0.80 ALDH1A1 (0.43) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL17345880 0.80 CARM1 (0.47) SIGMAR1POLBTDP1ALDH1A1HPGD

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 412/4885POLB 399/4885TDP1 2145/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN SIGMAR1 412/4885POLB 399/4885TDP1 2145/4885

“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.