SCHEMBL95356

SCHEMBL95356

[CH2]c1ccc(N(CCCCl)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
ESR1 P03372 2/20 0.48
ALOX5 P09917 3/20 0.45
RORC P51449 3/20 0.44
PTGES O14684 2/20 0.43
NR3C1 P04150 1/20 0.43
LMNA P02545 1/20 0.41
NR1H2 P55055 1/20 0.41
ATM Q13315 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL7016049 0.78 RORC (0.76) NR1I2RORCNR1H2
SCHEMBL5189511 0.73 ESR1 (0.80) NR1I2L3MBTL1ESR1ALOX5PTGES
SCHEMBL9721821 0.71 CNR1 (0.56) RORCCNR1CNR2
SCHEMBL3621820 0.71 TDP1 (0.50) PTGESLMNA
SCHEMBL3283838 0.71 KMT2A (0.56) NR1I2L3MBTL1ESR1ALOX5RORC
SCHEMBL10312373 0.70 ESR1 (0.57) NR1I2L3MBTL1ESR1ALOX5RORC
SCHEMBL11699527 0.70 L3MBTL1 (0.56) NR1I2L3MBTL1ESR1ALOX5RORC
Hydrochloric Acid SCHEMBL5795271 0.70 NR1I2 (0.66) NR1I2L3MBTL1ESR1ALOX5RORC
SCHEMBL10438567 0.69 ESR1 (0.79) NR1I2L3MBTL1ESR1ALOX5LMNA
SCHEMBL10900894 0.69 ALOX5 (0.85) NR1I2L3MBTL1ESR1ALOX5PTGES

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 NR1I2 148/4885L3MBTL1 1099/4885ESR1 1560/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 NR1I2 962/4885L3MBTL1 262/4885ESR1 2684/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 NR1I2 962/4885L3MBTL1 262/4885ESR1 2684/4885

“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.