SCHEMBL4413829

SCHEMBL4413829

O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(S(=O)(=O)Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
KIF18A Q8NI77 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPK1 P28482 4/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
VCAM1 P19320 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL4552023 0.82 MGAM (0.61) MGAMGAASIMGAM2MAPK1
SCHEMBL4414927 0.80 ALDH1A1 (0.58) MGAMGAASIMGAM2RAB9A
SCHEMBL970105 0.80 MGAM (0.43) MGAMGAASIMGAM2RAB9A
SCHEMBL11332688 0.80 MGAM (0.65) MGAMGAASIMGAM2RAB9A
SCHEMBL4414586 0.79 HSD17B10 (0.44) MGAMGAASIMGAM2RAB9A
SCHEMBL4414734 0.77 CA12 (0.50) MGAMGAASIMGAM2RAB9A
SCHEMBL6125034 0.73 MAPK1 (0.63) RAB9AMAPTHPGDNPC1KIF18A
SCHEMBL4418286 0.71 MGAM (0.59) MGAMGAASIMGAM2RAB9A
SCHEMBL4419209 0.70 MGAM (0.53) MGAMGAASIMGAM2RAB9A
SCHEMBL30821752 0.69 KIF18A (0.64) MAPTKIF18AMAPK1TSHRALDH1A1

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.