SCHEMBL13990902

SCHEMBL13990902

[N-]=[N+]=NCCCNc1nc(NCCCN=[N+]=[N-])nc(NCCCN=[N+]=[N-])n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 6/20 0.33
KMT2A Q03164 1/20 0.33
SLC29A1 Q99808 1/20 0.30

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
SCHEMBL13990780 0.91 SLC29A1 (0.42) KCNH3KMT2ASLC29A1
SCHEMBL16306899 0.83 KMT2A (0.40) KCNH3KMT2ASLC29A1
SCHEMBL16306898 0.83 KMT2A (0.57) KCNH3KMT2ASLC29A1
SCHEMBL14656704 0.80 ALDH1A1 (0.54)
SCHEMBL16306897 0.77 KCNH3 (0.39) KCNH3KMT2ASLC29A1
SCHEMBL28946232 0.77 CYP1A2 (0.41) KMT2A
SCHEMBL14656440 0.75 ALDH1A1 (0.52)
SCHEMBL14656566 0.74 ALDH1A1 (0.50) KCNH3
SCHEMBL14656506 0.74 ALDH1A1 (0.50) KCNH3
SCHEMBL14656528 0.74 ALDH1A1 (0.50) KCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200234943-A1 Methods For Depositing Blocking Layers On Metal Surfaces APPLIED MATERIALS, INC. 2020-07-23 US disclosed
EP-2883528-B1 Dental materials based on polymerisable azides and alkynes IVOCLAR VIVADENT AG (LI) 2018-01-31 EP disclosed
US-9522100-B2 Dental restorative materials based on polymerizable azides and alkynes IVOCLAR VIVADENT AG (LI) 2016-12-20 US disclosed
US-9522100-B2 Dental restorative materials based on polymerizable azides and alkynes IVOCLAR VIVADENT AG (LI) 2016-12-20 US disclosed
US-9333150-B2 Dental restorative materials based on polymerizable azides and alkynes IVOCLAR VIVADENT AG (LI) 2016-05-10 US disclosed
US-9333150-B2 Dental restorative materials based on polymerizable azides and alkynes IVOCLAR VIVADENT AG (LI) 2016-05-10 US disclosed
US-20150164750-A1 Dental Restorative Materials Based on Polymerizable Azides and Alkynes IVOCLAR VIVADENT AG (LI) 2015-06-18 US disclosed
US-20150164750-A1 Dental Restorative Materials Based on Polymerizable Azides and Alkynes IVOCLAR VIVADENT AG (LI) 2015-06-18 US disclosed
EP-2883528-A1 Dental materials based on polymerisable azides and alkynes Ivoclar Vivadent AG (LI) 2015-06-17 EP disclosed
EP-2743267-B1 Dental materials based on polymerisable azides and alkenes IVOCLAR VIVADENT AG (LI) 2015-03-04 EP disclosed
US-20140171536-A1 Dental Restorative Materials Based on Polymerizable Azides and Alkynes IVOCLAR VIVADENT AG (LI) 2014-06-19 US disclosed
US-20140171536-A1 Dental Restorative Materials Based on Polymerizable Azides and Alkynes IVOCLAR VIVADENT AG (LI) 2014-06-19 US disclosed
EP-2743267-A1 Dental materials based on polymerisable azides and alkenes Ivoclar Vivadent AG (LI) 2014-06-18 EP disclosed
US-8101238-B2 Polymeric materials via click chemistry THE SCRIPPS RESEARCH INSTITUTE (US) 2012-01-24 US disclosed
US-20080311412-A1 Polymeric Materials Via Click Chemistry THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-18 US 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-20150164750-A1 Dental Restorative Materials Based on Polymerizable Azides and Alkynes ITGB3, ACR, ILK KCNH3 153/4885KMT2A 2079/4885SLC29A1 3969/4885
US-20140171536-A1 Dental Restorative Materials Based on Polymerizable Azides and Alkynes PRXL2A, CNPY2, CDYL KCNH3 146/4885KMT2A 1062/4885SLC29A1 4523/4885

“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.