SCHEMBL2848980

SCHEMBL2848980

NC(=O)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.62
SPHK2 Q9NRA0 2/20 0.62
SPHK1 Q9NYA1 1/20 0.62
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
LTB4R Q15722 1/20 0.59
LTB4R2 Q9NPC1 1/20 0.59
MAOB P27338 3/20 0.59
FFAR1 O14842 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
SMPD1 P17405 1/20 0.56
KMT2A Q03164 1/20 0.56
NAAA Q02083 1/20 0.55
PARP10 Q53GL7 1/20 0.55
BCHE P06276 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
SRD5A2 P31213 1/20 0.55

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
SCHEMBL954459 0.87 NR4A2 (0.66) NR4A2CYP4F2CYP4A11LTB4RLTB4R2
SCHEMBL2912575 0.84 FFAR1 (0.66) NR4A2SPHK2SPHK1CYP4F2CYP4A11
SCHEMBL670027 0.84 MAOB (0.68) NR4A2CYP4F2CYP4A11LTB4RLTB4R2
SCHEMBL2790268 0.84 NR4A2 (0.62) NR4A2CYP4F2CYP4A11LTB4RLTB4R2
SCHEMBL1395777 0.83 FFAR1 (0.56) FFAR1SMN1; SMN2PARP10KDM4EALDH1A1
SCHEMBL6754441 0.83 NR1H3 (0.53)
SCHEMBL1395785 0.83 PARP10 (0.68) NR4A2LTB4RLTB4R2MAOBFFAR1
SCHEMBL21981026 0.83 NR4A2 (0.57) NR4A2SPHK2SPHK1CYP4F2CYP4A11
SCHEMBL9526431 0.83 NR4A2 (0.69) NR4A2CYP4F2CYP4A11LTB4RLTB4R2
SCHEMBL1137350 0.83 ALDH1A1 (0.67) NR4A2CYP4F2CYP4A11LTB4RLTB4R2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-01 US disclosed
US-8697687-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2014-04-15 US disclosed
US-20130012500-A1 ORGANIC COMPOUNDS BHALAY GURDIP (GB) 2013-01-10 US disclosed
CN-102665715-A Compositions for treatment of cystic fibrosis and other chronic diseases VERTEX PHARMA 2012-09-12 CN disclosed
EP-2490687-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorporated (US) 2012-08-29 EP disclosed
EP-2231280-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-09-29 EP 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 (8 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-20130012500-A1 ORGANIC COMPOUNDS OR10J3, REN, CACNA1E NR4A2 976/4885SPHK2 2436/4885SPHK1 1687/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 NR4A2 2243/4885SPHK2 1980/4885SPHK1 2032/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G NR4A2 645/4885SPHK2 478/4885SPHK1 563/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 NR4A2 2243/4885SPHK2 1980/4885SPHK1 2032/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 NR4A2 2243/4885SPHK2 1980/4885SPHK1 2032/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E NR4A2 976/4885SPHK2 2436/4885SPHK1 1687/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 NR4A2 2243/4885SPHK2 1980/4885SPHK1 2032/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G NR4A2 645/4885SPHK2 478/4885SPHK1 563/4885

“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.