SCHEMBL26328796

SCHEMBL26328796

C=C(OCC)c1nnc(CNC(=O)OC(C)(C)C)nn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.34
KDM4A O75164 1/20 0.34
GFER P55789 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPRB P23467 1/20 0.33
GLS O94925 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
SCHEMBL13977598 0.82 KDM4E (0.49) KDM4ELMNACA1CA2CA12
SCHEMBL16625930 0.79 KDM4E (0.44) KDM4ELMNACA1CA2CA12
SCHEMBL16628028 0.79 KDM4E (0.44) KDM4ELMNACA1CA2CA12
SCHEMBL26328793 0.73 HTT (0.47) KDM4ELMNACA1CA2CA12
SCHEMBL26328784 0.72 KDM4E (0.43) KDM4ELMNACA1CA2CA12
SCHEMBL30564599 0.71 ATR (0.39) CA1CA2CA12CA9ALDH1A1
SCHEMBL26328902 0.70 MAPT (0.42) KDM4ELMNACA1CA2CA12
SCHEMBL15939915 0.69 GLS (0.39) KDM4ELMNACA1CA2CA12
SCHEMBL25497278 0.69 HDAC1 (0.47) CA1CA12KDM4ACYP1A2GLS
SCHEMBL3564101 0.68 CYP1A2 (0.47) KDM4ELMNAALDH1A1MEN1TSHR

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 2 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

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 KDM4E 1634/4885LMNA 3980/4885CA1 504/4885

“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.