SCHEMBL95424

SCHEMBL95424

[CH2]c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.51
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
IDH1 O75874 2/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 1/20 0.47
NLRP1 Q9C000 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CDK7 P50613 1/20 0.47
CCNH P51946 1/20 0.47
CCNA1 P78396 1/20 0.47
PGR P06401 1/20 0.46
CES1 P23141 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL95927 0.84 ALDH1A1 (0.67) HTTMAPTALDH1A1MAPK1LMNA
SCHEMBL94831 0.81 MAPT (0.63) HTTMAPTALDH1A1MAPK1LMNA
SCHEMBL95201 0.78 NPSR1 (0.69) HTTLMNASMN1; SMN2NPSR1TSHR
SCHEMBL96522 0.78 POLB (0.60) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL94411 0.75 ACLY (0.70) HDAC1
SCHEMBL25754777 0.74 IDH1 (0.53) HTTMAPTALDH1A1IDH1MEN1
SCHEMBL28750166 0.74 POLB (0.60) MAPTIDH1LMNAMEN1ALOX12
SCHEMBL6257368 0.74 TSHR (0.49) HTTMAPK1MCL1TSHRHPGD
SCHEMBL96121 0.74 CES1 (0.81) HTTMAPTALDH1A1MEN1KMT2A
SCHEMBL96059 0.72 CYP3A4 (0.62) PGRCES1

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 12 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
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
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 HTT 4495/4885MAPT 4112/4885ALDH1A1 2948/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HTT 4175/4885MAPT 4773/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HTT 4175/4885MAPT 4773/4885ALDH1A1 2458/4885

“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.