SCHEMBL1586741

SCHEMBL1586741

COC(=O)c1cc(Cl)c(O)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 4/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
NFKB1 P19838 1/20 0.53
XDH P47989 1/20 0.53
GFER P55789 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
FUT7 Q11130 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 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
SCHEMBL282150 0.87 KDM4E (0.63) KMT2AMEN1GAAKDM4ELMNA
Syringate SCHEMBL159392 0.87 CA12 (0.67) KMT2AGAAKDM4ELMNAPOLB
Water SCHEMBL7957219 0.85 KDM4E (0.61) KMT2AMEN1GAAKDM4ELMNA
SCHEMBL1457782 0.84 ALDH1A1 (0.50) KMT2AMEN1GAAKDM4ELMNA
SCHEMBL31346673 0.84 LMNA (0.75) KMT2AMEN1HSD17B10LMNACA12
SCHEMBL985817 0.84 CA12 (0.75) KMT2AMEN1HSD17B10LMNACA12
SCHEMBL4898203 0.84 MEN1 (0.55) KMT2AMEN1HSD17B10LMNACA12
SCHEMBL30927157 0.84 ALDH1A1 (0.50) KMT2AMEN1GAAKDM4ELMNA
SCHEMBL1457790 0.83 GAA (0.47) KMT2AMEN1HSD17B10GAAKDM4E
SCHEMBL1465618 0.83 KDM4E (0.77) KMT2AGAAKDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171883-A1 ANTIVIRAL WIPER FUJIFILM CORPORATION (JP) 2021-06-10 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
EP-2813227-A1 Compositions for treatment of cystic fibrosis and other chronic diseases Vertex Pharmaceuticals Incorporated (US) 2014-12-17 EP disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8039472-B2 Pyrazine-2-carboxamide derivatives to treat diseases mediated by blockade of the epithelial sodium channel NOVARTIS AG (CH) 2011-10-18 US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2011-09-29 US disclosed
WO-2011050325-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-28 WO disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
EP-2231280-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-09-29 EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 US disclosed
WO-2009074575-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 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 (9 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-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 KMT2A 4359/4885MEN1 3122/4885HSD17B10 1248/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 KMT2A 4359/4885MEN1 3122/4885HSD17B10 1248/4885
US-20210171883-A1 ANTIVIRAL WIPER CGAS, PRKX, PDE4C KMT2A 1885/4885MEN1 3305/4885HSD17B10 2265/4885
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G KMT2A 2584/4885MEN1 759/4885HSD17B10 2051/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G KMT2A 2584/4885MEN1 759/4885HSD17B10 2051/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 KMT2A 4359/4885MEN1 3122/4885HSD17B10 1248/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E KMT2A 4325/4885MEN1 854/4885HSD17B10 1698/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 KMT2A 4359/4885MEN1 3122/4885HSD17B10 1248/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G KMT2A 2584/4885MEN1 759/4885HSD17B10 2051/4885

“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.