SCHEMBL98037

SCHEMBL98037

[CH2]c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.71
CA1 P00915 4/20 0.71
CA12 O43570 2/20 0.71
CA9 Q16790 2/20 0.71
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP3A4 P08684 1/20 0.64
HPGD P15428 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HTT P42858 1/20 0.59
HDAC1 Q13547 1/20 0.57
FFAR4 Q5NUL3 1/20 0.55
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54

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
SCHEMBL7498033 0.91 CA2 (0.83) CA2CA1CA12CA9KMT2A
SCHEMBL4823249 0.85 CA2 (0.90) CA2CA1CA12CA9KMT2A
SCHEMBL4941409 0.83 CA2 (0.77) CA2CA1CA12CA9KMT2A
SCHEMBL21247922 0.83 CA2 (0.71) CA2CA1CA12CA9KMT2A
SCHEMBL9208267 0.83 CA2 (0.71) CA2CA1CA12CA9KMT2A
SCHEMBL20472197 0.83 CA2 (0.77) CA2CA1CA12CA9KMT2A
SCHEMBL5230151 0.83 CES1 (0.73) CA2CA1CA12CA9KMT2A
SCHEMBL4574130 0.83 CA2 (0.71) CA2CA1CA12CA9KMT2A
SCHEMBL6577363 0.83 CA2 (0.71) CA2CA1CA12CA9KMT2A
SCHEMBL11442412 0.83 CA2 (0.71) CA2CA1CA12CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB CA2 823/4885CA1 3276/4885CA12 3743/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CA2 254/4885CA1 2592/4885CA12 1180/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CA2 254/4885CA1 2592/4885CA12 1180/4885

“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.