SCHEMBL4414586

SCHEMBL4414586

O=[N+]([O-])c1ccc(-c2nnc(S(=O)(=O)Cl)s2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
CA2 P00918 2/20 0.44
CA5A P35218 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
NPBWR1 P48145 1/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CRHBP P24387 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
SCHEMBL28511776 0.80 ALDH1A1 (0.61) HSD17B10ALDH1A1KMT2AMAPTMEN1
SCHEMBL8044727 0.80 HSD17B10 (0.47) HSD17B10ALDH1A1KMT2AMAPTMEN1
SCHEMBL4418286 0.79 MGAM (0.59) CA2CA12CA1CA9KMT2A
SCHEMBL4413829 0.79 MGAM (0.41) CA2CA5ACA12CA1CA3
SCHEMBL4552023 0.74 MGAM (0.61) HSD17B10CA2CA5ACA12CA1
SCHEMBL10405791 0.73 HSD17B10 (0.72) HSD17B10ALDH1A1KMT2AMAPTMEN1
SCHEMBL31518627 0.69 HSD17B10 (0.60) HSD17B10ALDH1A1KMT2AMEN1PTPRC
SCHEMBL1817485 0.69 HSD17B10 (0.60) HSD17B10ALDH1A1KMT2AMEN1PTPRC
SCHEMBL4784061 0.68 MMP13 (0.63) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL29403247 0.66 ALDH1A1 (0.60) HSD17B10ALDH1A1KMT2AMEN1TDP1

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 HSD17B10 4668/4885CA2 3196/4885CA5A 4098/4885

“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.