SCHEMBL95317

SCHEMBL95317

[CH2]c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
IDH1 O75874 5/20 0.55
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
PDE2A O00408 1/20 0.52
PDE5A O76074 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
APEX1 P27695 1/20 0.52
PDE4A P27815 1/20 0.52
BLM P54132 1/20 0.52
PDE1B Q01064 1/20 0.52

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
SCHEMBL7571585 0.86 ALDH1A1 (0.66) SMN1; SMN2L3MBTL1IDH1MEN1MAPT
SCHEMBL7571566 0.86 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1IDH1MEN1MAPT
SCHEMBL7580547 0.86 IDH1 (0.71) SMN1; SMN2L3MBTL1IDH1
SCHEMBL7572373 0.86 L3MBTL1 (0.67) SMN1; SMN2L3MBTL1IDH1MEN1MAPT
SCHEMBL7571531 0.84 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1IDH1MEN1MAPT
SCHEMBL95345 0.84 ALDH1A1 (0.56) SMN1; SMN2IDH1MEN1MAPTKMT2A
SCHEMBL259390 0.80 MEN1 (0.66) SMN1; SMN2L3MBTL1IDH1MEN1MAPT
SCHEMBL98037 0.78 CA2 (0.71) SMN1; SMN2MEN1MAPTKMT2ALMNA
SCHEMBL29451393 0.78 ALDH1A1 (0.62) SMN1; SMN2L3MBTL1MEN1MAPTKMT2A
SCHEMBL19241032 0.78 ALDH1A1 (0.62) SMN1; SMN2L3MBTL1MEN1MAPTKMT2A

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 14 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
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN 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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN 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
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN 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 SMN1; SMN2 3998/4885L3MBTL1 1099/4885IDH1 1279/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SMN1; SMN2 3084/4885L3MBTL1 262/4885IDH1 3360/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SMN1; SMN2 3084/4885L3MBTL1 262/4885IDH1 3360/4885

“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.