SCHEMBL16615978

SCHEMBL16615978

Cc1nnc(CN(C(=O)O)C(C)(C)C)nn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL16616069 0.92 MEN1 (0.40) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL27087739 0.76 LMNA (0.44) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL17094558 0.74 KDM6B (0.44) HTTL3MBTL1LMNAALDH1A1
SCHEMBL2574651 0.73 MEN1 (0.33) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL1284719 0.71 MEN1 (0.39) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL607874 0.70 SMN1; SMN2 (0.40) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL22656967 0.69 ALDH1A1 (0.36) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL3539586 0.68 L3MBTL1 (0.35) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL8773482 0.67 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL25244288 0.67 MEN1 (0.33) MEN1KMT2AHTTL3MBTL1LMNA

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-9533957-B2 Tetrazines and method of synthezising the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-03 US disclosed
US-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-09 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-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME NBAS, NAA15, TALDO1 MEN1 1693/4885KMT2A 1569/4885HTT 397/4885

“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.