SCHEMBL17345923

SCHEMBL17345923

CSCCCN(CCCN1CCOCC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR7 P34969 2/20 0.44
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KDM1A O60341 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 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
SCHEMBL17345925 0.88 HTR7 (0.44) SIGMAR1HTR7
SCHEMBL17346230 0.84 POLB (0.51) POLBSIGMAR1HTR7TSHRKMT2A
SCHEMBL17346232 0.82 POLB (0.52) POLBSIGMAR1NPSR1KMT2AMEN1
SCHEMBL17346355 0.81 POLB (0.51) POLBSIGMAR1HTR7KMT2AHTT
SCHEMBL17346075 0.81 HSD17B10 (0.49) POLBSIGMAR1KMT2AKDM4EMEN1
SCHEMBL13305331 0.77 SIGMAR1 (0.58) POLBSIGMAR1HTR7KMT2AHTT
SCHEMBL17346186 0.77 KEAP1 (0.43) POLBSIGMAR1NPSR1KMT2ALMNA
SCHEMBL17346052 0.76 POLB (0.59) POLBKMT2AKDM4EMEN1
SCHEMBL9881188 0.74 KEAP1 (0.54) POLBSIGMAR1KDM4ELMNA
SCHEMBL17345921 0.74 POLB (0.56) POLBSIGMAR1KMT2AKDM4EMEN1

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 POLB 399/4885SIGMAR1 412/4885HTR7 3866/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN POLB 399/4885SIGMAR1 412/4885HTR7 3866/4885

“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.