SCHEMBL3822201

SCHEMBL3822201

Cc1cn(CC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)O)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.41
TGM1 P22735 3/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
NPY5R Q15761 2/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
CYP19A1 P11511 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL3821399 0.92 KMT2A (0.40) F13A1TGM1ALDH1A1KMT2AMEN1
SCHEMBL3821308 0.89 CA12 (0.37) F13A1TGM1CA12CA1CA2
SCHEMBL3821151 0.87 PARP14 (0.41) KMT2ASMN1; SMN2THRB
SCHEMBL4415959 0.84 DDX3X (0.34) F13A1TGM1CA12CA1CA2
SCHEMBL3816758 0.81 CA12 (0.36) KMT2ACA12CA1CA2CA9
SCHEMBL3822313 0.81 ALDH1A1 (0.37) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL3820739 0.80 PARP14 (0.40) KMT2ASMN1; SMN2THRB
SCHEMBL4419177 0.78 CA12 (0.32) ALDH1A1KMT2AMEN1CA12CA1
SCHEMBL4414797 0.77 TK1 (0.37) CA12CA1CA2CA9HPGD
SCHEMBL3136458 0.77 TK2 (0.35) CA12CA1CA2CA9HPGD

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-1470114-B1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2009-08-19 EP disclosed
US-7022851-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-04-04 US disclosed
EP-1470114-A4 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2005-05-11 EP disclosed
EP-1470114-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES Panagene, Inc. (KR) 2004-10-27 EP disclosed
US-20030195332-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-10-16 US disclosed
WO-2003062212-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE, INC. (US) 2003-07-31 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-20030195332-A1 PNA monomer and precursor RNGTT, NGLY1, NCL F13A1 307/4885TGM1 2385/4885ALDH1A1 3614/4885

“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.