SCHEMBL1028215

SCHEMBL1028215

CC(C)(C)N(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 3/20 0.54
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
HTT P42858 1/20 0.50
THRB P10828 1/20 0.50
CYP19A1 P11511 1/20 0.49
F13A1 P00488 2/20 0.48
TGM1 P22735 2/20 0.48
NPY5R Q15761 3/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL1028213 1.00 KMT2A (0.55) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL28057964 0.88 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL15915623 0.81 RECQL (0.53)
SCHEMBL12619908 0.81 KMT2A (0.60) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL6199063 0.81 KMT2A (0.57) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL6199054 0.81 KMT2A (0.57) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL454129 0.79 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL31690564 0.79 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL4371394 0.79 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1CA1CA2
SCHEMBL30649118 0.79 KMT2A (0.71) KMT2AMEN1ALDH1A1CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 KMT2A 1006/4885MEN1 514/4885ALDH1A1 600/4885

“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.