SCHEMBL4418646

SCHEMBL4418646

CCOC(=O)CN(CCNS(=O)(=O)c1nnc(-c2ccccc2[N+](=O)[O-])s1)C(=O)Cn1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.33
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
F13A1 P00488 3/20 0.31
TGM1 P22735 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTPRB P23467 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
SCHEMBL4415959 0.93 DDX3X (0.34) DDX3XMGAMGAASIMGAM2
SCHEMBL4426611 0.91 ALDH1A1 (0.33) CA12CA1CA2CA9MEN1
SCHEMBL4412201 0.88 RAB9A (0.37) GAAMEN1ALDH1A1MAPTKMT2A
SCHEMBL4414309 0.87 TK1 (0.36) CA12CA1CA2CA9MEN1
SCHEMBL4421554 0.87 SMN1; SMN2 (0.33) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL3821399 0.85 KMT2A (0.40) F13A1TGM1CA12CA1CA2
SCHEMBL4419177 0.84 CA12 (0.32) CA12CA1CA2CA9MEN1
SCHEMBL4412301 0.84 KMT2A (0.33) CA12CA1CA2CA9MEN1
SCHEMBL4415442 0.84 MAPT (0.34) CA12CA1CA2CA9MEN1
SCHEMBL4415591 0.83 CA12 (0.37) CA12CA1CA2CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651642-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-11-04 EP disclosed
US-7211668-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2007-05-01 US disclosed
EP-1651642-A4 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2006-11-29 EP disclosed
EP-1651642-A1 PNA MONOMER AND PRECURSOR Panagene Inc. (KR) 2006-05-03 EP disclosed
US-20050026930-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-02-03 US disclosed
WO-2005009998-A1 PNA MONOMER AND PRECURSOR PANAGENE INC. (US) 2005-02-03 WO 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-20050026930-A1 PNA monomer and precursor RNGTT, POLL, NSUN3 DDX3X 1976/4885MGAM 4533/4885GAA 4113/4885

“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.