SCHEMBL1586575

SCHEMBL1586575

O=S(=O)(Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.74
HDAC6 Q9UBN7 1/20 0.74
SCD O00767 3/20 0.71
CYP2C9 P11712 6/20 0.66
CYP2C19 P33261 5/20 0.66
CYP1A2 P05177 5/20 0.66
CYP3A4 P08684 6/20 0.63
CYP2D6 P10635 2/20 0.63
MAPT P10636 7/20 0.61
TP53 P04637 4/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
MEN1 O00255 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B10 Q99714 1/20 0.61
FTO Q9C0B1 1/20 0.61
CHEK2 O96017 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58

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
SCHEMBL516958 0.88 NPBWR1 (0.58) NPBWR1HDAC6SCDCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL23531533 0.87 NPBWR1 (0.57) NPBWR1HDAC6SCDCYP2C9CYP2C19
Ensulizole SCHEMBL38724 0.85 HDAC6 (1.00) NPBWR1HDAC6SCDCYP2C9CYP2C19
SCHEMBL14254530 0.85 NPBWR1 (1.00) NPBWR1HDAC6SCDCYP2C9CYP2C19
SCHEMBL15640487 0.85 CHEK2 (0.79) NPBWR1HDAC6SCDCYP2C9CYP2C19
Ensulizole SCHEMBL3173657 0.85 NPBWR1 (0.74) NPBWR1HDAC6SCDCYP2C9CYP2C19
Ensulizole SCHEMBL17707525 0.85 NPBWR1 (0.74) NPBWR1HDAC6SCDCYP2C9CYP2C19
Ensulizole SCHEMBL7751558 0.85 HDAC6 (1.00) NPBWR1HDAC6SCDCYP2C9CYP2C19
Ensulizole SCHEMBL1276071 0.84 HDAC6 (0.97) NPBWR1HDAC6SCDCYP2C9CYP2C19
Ensulizole SCHEMBL17351654 0.84 HDAC6 (0.97) NPBWR1HDAC6SCDCYP2C9CYP2C19

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9923152-B2 Organic ionic functional materials MERCK PATENT GMBH (DE) 2018-03-20 US disclosed
US-9923152-B2 Organic ionic functional materials MERCK PATENT GMBH (DE) 2018-03-20 US disclosed
EP-2444120-B1 Spirocyclic amiloride analogues as ENac blockers NOVARTIS AG (CH) 2017-09-27 EP disclosed
US-9643983-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2017-05-09 US disclosed
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2016-03-10 US disclosed
US-9139586-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2015-09-22 US disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED 2015-06-04 US disclosed
US-9023889-B2 Use of ascorbic acid derivatives for the functionalization of matrices MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-9023889-B2 Use of ascorbic acid derivatives for the functionalization of matrices MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
EP-2049075-A2 USE OF ASCORBIC ACID DERIVATIVES FOR THE FUNCTIONALIZATION OF MATRICES Merck Patent GmbH (DE) 2009-04-22 EP disclosed
US-7345090-B2 Galenical formulation MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-03-18 US disclosed
US-7345090-B2 Galenical formulation MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-03-18 US disclosed
US-7345090-B2 Galenical formulation MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-03-18 US disclosed
WO-2008017346-A2 USE OF ASCORBIC ACID DERIVATIVES FOR THE FUNCTIONALIZATION OF MATRICES MERCK PATENT GMBH (DE) 2008-02-14 WO disclosed
WO-2008017346-A2 USE OF ASCORBIC ACID DERIVATIVES FOR THE FUNCTIONALIZATION OF MATRICES MERCK PATENT GMBH (DE) 2008-02-14 WO disclosed
EP-1205475-B1 Flavonoid compounds for use against oxidative stress and UV radiation MERCK PATENT GMBH (DE) 2004-10-27 EP disclosed
US-20040202624-A1 Galenical formulation PFLUECKER FRANK (DE) 2004-10-14 US disclosed
US-20020106338-A1 Galenical formulation MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-08-08 US disclosed
EP-1205475-A1 Flavonoid compounds for use against oxidative stress and UV radiation MERCK PATENT GmbH (DE) 2002-05-15 EP 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 (5 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-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G NPBWR1 446/4885HDAC6 681/4885SCD 4007/4885
US-20040202624-A1 Galenical formulation GALR1, GLA, GALR3 NPBWR1 3421/4885HDAC6 2936/4885SCD 4074/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 NPBWR1 1447/4885HDAC6 1721/4885SCD 2297/4885
US-20020106338-A1 Galenical formulation GALR1, GLA, GALR3 NPBWR1 3421/4885HDAC6 2936/4885SCD 4074/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 NPBWR1 1447/4885HDAC6 1721/4885SCD 2297/4885

“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.