SCHEMBL23869737

SCHEMBL23869737

CC(C)(C)OC(=O)NCCc1nnc(-c2nccc(CNC(=O)CCCC(=O)O)n2)nn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
GBA1 P04062 1/20 0.37
HTT P42858 1/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
LATS1 O95835 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL23869786 0.88 HTT (0.39) CYP3A4SMN1; SMN2CA1CA2HTT
SCHEMBL23869736 0.81 SMN1; SMN2 (0.49) CYP3A4SMN1; SMN2HTTGAAPOLB
SCHEMBL23869735 0.81 HTT (0.38) SMN1; SMN2CA1CA2HTTSTK17B
SCHEMBL23869794 0.79 SMN1; SMN2 (0.53) SMN1; SMN2HTTMEN1GAAKMT2A
SCHEMBL23869793 0.76 KDM4A (0.42) CA1CA2STK17BSTK17AL3MBTL1
SCHEMBL23869734 0.72 SMN1; SMN2 (0.35) CYP3A4SMN1; SMN2
SCHEMBL25497384 0.70 CKS1B (0.47) SMN1; SMN2HTTSIGMAR1MEN1GAA
SCHEMBL16061043 0.69 MEN1 (0.53) CYP3A4CA1CA2MEN1GAA
SCHEMBL22746305 0.68 ACACB (0.43) SMN1; SMN2HTTMEN1GAAKMT2A
SCHEMBL23795985 0.67 KDM4A (0.42) CA1CA2KDM4EL3MBTL1LATS1

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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD FCER2, SQLE, TTL CYP3A4 1012/4885SMN1; SMN2 4579/4885CA1 1577/4885

“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.