SCHEMBL17346142

SCHEMBL17346142

c1ccc(CSCCNCCN(Cc2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
ACKR3 P25106 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
G6PC1 P35575 1/20 0.37
LTA4H P09960 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRD1 P41143 1/20 0.35
AGER Q15109 3/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL17346132 0.99 KMT2A (0.40) KMT2AMEN1ALDH1A1OPRM1OPRK1
SCHEMBL17346372 0.89 L3MBTL1 (0.39) KMT2AMEN1ALDH1A1OPRM1OPRK1
SCHEMBL17346145 0.88 OPRM1 (0.41) ALDH1A1OPRM1OPRK1RAB9AHPGD
SCHEMBL17346438 0.88 DRD3 (0.44) KMT2AMEN1ALDH1A1OPRM1OPRK1
SCHEMBL17346227 0.88 OPRM1 (0.41) ALDH1A1OPRM1OPRK1RAB9AHPGD
SCHEMBL17346336 0.88 ACKR3 (0.43) KMT2AMEN1ALDH1A1OPRM1OPRK1
SCHEMBL17346367 0.88 GRIN2B (0.39) KMT2AMEN1ALDH1A1OPRM1OPRK1
SCHEMBL17346141 0.86 OPRM1 (0.42) ALDH1A1OPRM1OPRK1HPGDLMNA
SCHEMBL17346343 0.86 ACKR3 (0.44) KMT2AMEN1ALDH1A1OPRM1OPRK1
SCHEMBL17346435 0.86 DRD3 (0.43) KMT2AMEN1ALDH1A1OPRM1OPRK1

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 KMT2A 4514/4885MEN1 3121/4885ALDH1A1 862/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN KMT2A 4514/4885MEN1 3121/4885ALDH1A1 862/4885

“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.