SCHEMBL4416110

SCHEMBL4416110

Cc1cn(CC(=O)N(CCNS(=O)(=O)c2nnc(-c3ccc([N+](=O)[O-])cc3)s2)CC(=O)O)c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CSNK2A2 P19784 3/20 0.35
CSNK2B P67870 3/20 0.35
CSNK2A1 P68400 3/20 0.35
AMY1A P0DUB6 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL4412201 0.93 RAB9A (0.37) MAPTCYP1A2MEN1KMT2ALMNA
SCHEMBL4414797 0.90 TK1 (0.37) CA12CA1CA2CA9PTPRB
SCHEMBL4414566 0.90 CA12 (0.38) CYP3A4CA12CA1CA2CA9
SCHEMBL4411449 0.89 LMNA (0.33) MAPTMEN1KMT2ALMNA
SCHEMBL4415959 0.87 DDX3X (0.34) GAACA12CA1CA2CA9
SCHEMBL4419177 0.85 CA12 (0.32) MAPTMEN1KMT2ALMNACA12
SCHEMBL4414309 0.84 TK1 (0.36) MEN1KMT2ACYP3A4CYP2C9POLB
SCHEMBL4415591 0.83 CA12 (0.37) KMT2ACYP3A4CA12CA1CA2
SCHEMBL4421554 0.83 SMN1; SMN2 (0.33) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL4418155 0.81 TK2 (0.33) MAPTCA12CA1CA2CA9

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 MAPT 4633/4885CYP1A2 4664/4885MEN1 1967/4885

“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.