SCHEMBL5017241

SCHEMBL5017241

NCCCNCCCCNCCCNS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 3/20 0.45
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
GRIN2B Q13224 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CCKBR P32239 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
HPGD P15428 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
GRIA1 P42261 1/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40

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
SCHEMBL12085545 0.93 HDAC3 (0.43) LOXGRIN1GRIN2AGRIN2BALDH1A1
SCHEMBL21164100 0.92 HDAC3 (0.43) LOXGRIN1GRIN2AGRIN2BALDH1A1
SCHEMBL3611347 0.90 TSHR (0.43) LOXGRIN1GRIN2AGRIN2BMEN1
SCHEMBL14360459 0.87 KMT2A (0.41) LOXGRIN1GRIN2AGRIN2BALDH1A1
SCHEMBL3547639 0.84 BCL2 (0.45) LOXMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL7460244 0.80 CCKBR (0.50) LOXCCKBRMEN1KMT2ASMN1; SMN2
SCHEMBL23468556 0.78 RAB9A (0.41) GRIN1GRIN2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL3547492 0.78 MEN1 (0.54) MEN1KMT2ASMN1; SMN2BCL2BCL2L1
SCHEMBL8033818 0.77 HPGD (0.54) LOXALDH1A1CCKBRMEN1KMT2A
SCHEMBL1742958 0.76 HPGD (0.52) LOXCCKBRMEN1KMT2AHPGD

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
EP-1409483-B1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS SERONO LAB (CH) 2008-12-31 EP claimed
EP-3831372-A1 MITOGUAZONE FOR PREVENTING THE RELAPSE OR THE PROGRESSION OF MULTIPLE SCLEROSIS Pathologica LLC (US) 2021-06-09 EP disclosed
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PATHOLOGICA LLC (US) 2019-07-16 US disclosed
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA, LLC 2017-10-12 US disclosed
US-9616035-B2 Pharmaceutical for oral delivery comprising MGBG and methods of treating disease PATHOLOGICA, LLC (US) 2017-04-11 US disclosed
US-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA, LLC 2015-12-17 US disclosed
WO-2014110154-A1 METHODS AND COMP0STIONS FOR TREATMENT OF DEMYELINATING DISEASES PATHOLOGICA LLC (US) 2014-07-17 WO disclosed
US-20140051765-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2014-02-20 US disclosed
US-20120289604-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2012-11-15 US disclosed
US-8258186-B2 Pharmaceutical for oral delivery comprising MGBG PATHOLOGICA, LLC (US) 2012-09-04 US disclosed
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-05-12 US disclosed
WO-2011009039-A2 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE PATHOLOGICA LLC (US) 2011-01-20 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 (6 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-20150359761-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF DEMYELINATING DISEASES SRM, PMP22, SMS LOX 3923/4885GRIN1 357/4885GRIN2A 1161/4885
US-20140051765-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB LOX 1834/4885GRIN1 861/4885GRIN2A 1720/4885
US-20170290788-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB LOX 1834/4885GRIN1 861/4885GRIN2A 1720/4885
US-20120289604-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB LOX 1834/4885GRIN1 861/4885GRIN2A 1720/4885
US-20110112199-A1 PHARMACEUTICAL FOR ORAL DELIVERY COMPRISING MGBG AND METHODS OF TREATING DISEASE BPGM, PYGB, EDNRB LOX 1834/4885GRIN1 861/4885GRIN2A 1720/4885
US-10350178-B2 Methods and compositions for treatment of demyelinating diseases PMP22, MAG, GMFG LOX 1658/4885GRIN1 993/4885GRIN2A 1290/4885

“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.