SCHEMBL4418286

SCHEMBL4418286

O=[N+]([O-])c1ccc(-c2nnc(S(=O)(=O)Cl)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.59
GAA P10253 3/20 0.59
SI P14410 3/20 0.59
MGAM2 Q2M2H8 3/20 0.59
CSNK2A2 P19784 2/20 0.51
CSNK2B P67870 2/20 0.51
CSNK2A1 P68400 2/20 0.51
AMY1A P0DUB6 1/20 0.46
APP P05067 2/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
HDAC1 Q13547 2/20 0.43
MAPT P10636 2/20 0.43
HDAC2 Q92769 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL4414586 0.79 HSD17B10 (0.44) MGAMGAASIMGAM2CA12
SCHEMBL4419209 0.79 MGAM (0.53) MGAMGAASIMGAM2CA12
SCHEMBL10752099 0.78 MGAM (0.66) MGAMGAASIMGAM2CSNK2A2
SCHEMBL4422879 0.77 CA1 (0.51) CA12CA2CA9CA1MEN1
SCHEMBL848452 0.75 CA1 (0.66) GAAAPPMMP2MMP9MMP8
SCHEMBL13723187 0.74 GAA (0.66) MGAMGAASIMGAM2CSNK2A2
SCHEMBL968285 0.74 MGAM (0.66) MGAMGAASIMGAM2CSNK2A2
SCHEMBL368641 0.74 MGAM (1.00) MGAMGAASIMGAM2CSNK2A2
SCHEMBL4552023 0.74 MGAM (0.61) MGAMGAASIMGAM2CA12
SCHEMBL17673 0.72 CA2 (0.61) MMP2MMP9MMP8MMP13CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1829714-B Pna monomer and precursor PANAGENE INC 2012-05-30 CN disclosed
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
CN-1829714-A PNA monomer and precursor PANAGENE INC (KR) 2006-09-06 CN 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 MGAM 4533/4885GAA 4113/4885SI 3591/4885

“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.