SCHEMBL26328784

SCHEMBL26328784

CC(C)(C)OC(=O)NCc1nncnn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KDM4A O75164 1/20 0.43
NAMPT P43490 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
GFER P55789 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL13977598 0.88 KDM4E (0.49) KDM4ELMNAHTTKDM4ANAMPT
SCHEMBL16628028 0.81 KDM4E (0.44) KDM4ELMNAHTTKDM4ANAMPT
SCHEMBL16625930 0.81 KDM4E (0.44) KDM4ELMNAHTTKDM4ANAMPT
SCHEMBL16616006 0.78 NAMPT (0.53) NAMPTL3MBTL1CA1CA2TDP1
SCHEMBL17035934 0.78 KDM4A (0.47) KDM4ELMNAKDM4ANAMPTL3MBTL1
SCHEMBL26328793 0.78 HTT (0.47) KDM4ELMNAHTTKDM4ANAMPT
SCHEMBL28175608 0.76 CA12 (0.41) KDM4ELMNAHTTKDM4ANAMPT
SCHEMBL25497278 0.76 HDAC1 (0.47) KDM4ANAMPTCYP1A2CA12CA1
SCHEMBL17107898 0.75 L3MBTL1 (0.50) KDM4ELMNAKDM4AL3MBTL1CYP1A2
SCHEMBL13865274 0.75 L3MBTL1 (0.44) KDM4ELMNAKDM4ANAMPTL3MBTL1

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-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS UNIVERSITY OF DELAWARE (US) 2022-04-07 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 KDM4E 1634/4885LMNA 3980/4885HTT 1626/4885
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS TST, CYP4F8, CYP4Z1 KDM4E 1634/4885LMNA 3980/4885HTT 1626/4885

“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.