SCHEMBL26328906

SCHEMBL26328906

CC(=O)c1ccc(-c2nnc(CNC(=O)OC(C)(C)C)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
HDAC1 Q13547 2/20 0.41
CYP17A1 P05093 1/20 0.40
KDM4A O75164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
BCL2 P10415 1/20 0.38
BECN1 Q14457 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
XDH P47989 1/20 0.38
ATR Q13535 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL25439945 0.88 NAMPT (0.41) NAMPTHDAC1KDM4AL3MBTL1CYP1A2
SCHEMBL26328902 0.88 MAPT (0.42) NAMPTHDAC1KDM4AL3MBTL1CYP1A2
SCHEMBL25497278 0.86 HDAC1 (0.47) NAMPTHDAC1KDM4ACYP1A2CA12
SCHEMBL26329031 0.86 DYRK1A (0.44) L3MBTL1EPHX2NR1H4ADORA3KDM4E
SCHEMBL28975596 0.84 HDAC1 (0.46) NAMPTHDAC1CYP17A1L3MBTL1EPHX2
SCHEMBL13977598 0.81 KDM4E (0.49) NAMPTKDM4AL3MBTL1CYP1A2CA12
SCHEMBL26328914 0.80 ADORA2A (0.39) NAMPTHDAC1KDM4AL3MBTL1CYP1A2
SCHEMBL8127981 0.79 EPHX2 (0.59) NAMPTHDAC1KDM4AL3MBTL1EPHX2
SCHEMBL25367309 0.79 NAMPT (0.47) NAMPTHDAC1CYP17A1L3MBTL1HDAC6
SCHEMBL25440112 0.78 NAMPT (0.51) NAMPTHDAC1L3MBTL1EPHX2NR1H4

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 NAMPT 1678/4885HDAC1 1927/4885CYP17A1 404/4885

“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.