SCHEMBL17345890

SCHEMBL17345890

CCCCN(C)CCNCCSCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
SIGMAR1 Q99720 4/20 0.43
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.37

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
SCHEMBL17345894 0.92 SIGMAR1 (0.45) KDM4ESIGMAR1LMNAMAPTALDH1A1
SCHEMBL17346240 0.89 KDM4E (0.46) KDM4ESIGMAR1
SCHEMBL17346378 0.87 LMNA (0.47) KDM4ESIGMAR1LMNAMAPTALDH1A1
SCHEMBL17345884 0.87 ALDH1A1 (0.43) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL17345883 0.85 KCNH2 (0.48) KDM4ESIGMAR1LMNAMAPTALDH1A1
SCHEMBL17346375 0.85 LMNA (0.46) KDM4ESIGMAR1LMNAMAPTALDH1A1
SCHEMBL17345915 0.84 SIGMAR1 (0.43) SIGMAR1LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL17345880 0.84 CARM1 (0.47) SIGMAR1LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL17346419 0.84 SIGMAR1 (0.49) KDM4ESIGMAR1LMNAMAPTALDH1A1
SCHEMBL17346450 0.84 CNR2 (0.42) SIGMAR1LMNAMAPTALDH1A1SMN1; SMN2

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 KDM4E 4854/4885SIGMAR1 412/4885LMNA 3058/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN KDM4E 4854/4885SIGMAR1 412/4885LMNA 3058/4885

“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.