SCHEMBL17345962

SCHEMBL17345962

CSCCNCCN1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
SIGMAR1 Q99720 3/20 0.44
ACE2 Q9BYF1 1/20 0.43
DPP7 Q9UHL4 2/20 0.42
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
KDM1A O60341 1/20 0.36
NPC1 O15118 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL17345961 0.88 CARM1 (0.47) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL17345969 0.82 KDM1A (0.43) ACE2CA12CA1CA2CA9
SCHEMBL10410535 0.82 CARM1 (0.62) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL17345965 0.80 SCN5A (0.43) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL22788741 0.79 CARM1 (0.59) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL17526217 0.79 CARM1 (0.59) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL31326654 0.79 CARM1 (0.59) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL4288469 0.79 CARM1 (0.59) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL17528553 0.79 CARM1 (0.59) CARM1PRMT6PRMT8SIGMAR1ACE2
SCHEMBL10061913 0.77

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS Epizyme, Inc. 2020-04-16 US disclosed
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 (3 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 CARM1 2961/4885PRMT6 2562/4885PRMT8 2272/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN CARM1 2961/4885PRMT6 2562/4885PRMT8 2272/4885
US-20200113901-A1 METHODS OF USING EHMT2 INHIBITORS EHMT2, EHMT1, BHMT CARM1 38/4885PRMT6 11/4885PRMT8 20/4885

“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.