SCHEMBL1684479

SCHEMBL1684479

O=C(O)c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
TP53 P04637 2/20 0.47
ALDH1A1 P00352 4/20 0.47
BRD4 O60885 2/20 0.47
BRD2 P25440 2/20 0.47
BRD3 Q15059 2/20 0.47
BRDT Q58F21 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
FABP6 P51161 1/20 0.44
P2RY14 Q15391 1/20 0.44
PTGER4 P35408 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL16880887 0.81 KLKB1 (0.48) MAPTTP53ALDH1A1BRD4BRD2
SCHEMBL5435803 0.80 MAPT (0.51) MAPTTP53ALDH1A1BRD4BRD2
SCHEMBL4484502 0.80 GAA (0.66) MAPTALDH1A1BRD4BRD2BRD3
SCHEMBL8130897 0.79 ALDH1A1 (0.72) MAPTALDH1A1BRD4BRD2BRD3
SCHEMBL1617368 0.79 BRD4 (0.70) MAPTALDH1A1BRD4BRD2BRD3
SCHEMBL14884675 0.78 BRD4 (0.57) MAPTTP53ALDH1A1BRD4BRD2
SCHEMBL6885388 0.77 POLB (0.64) MAPTALDH1A1BRD4BRD2BRD3
SCHEMBL7229327 0.77 BRD4 (0.59) MAPTALDH1A1BRD4BRD2BRD3
SCHEMBL8120402 0.76 GAA (0.65) MAPTTP53SMN1; SMN2GAALMNA
SCHEMBL16486417 0.75 BRD4 (0.58) MAPTALDH1A1BRD4BRD2BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107737659-A One kind is used for soil sample processing unit in underground engineering wastewater treatment integrated equipment 徐州工程学院 2018-02-27 CN claimed
CN-107737659-A One kind is used for soil sample processing unit in underground engineering wastewater treatment integrated equipment 徐州工程学院 2018-02-27 CN 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-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
EP-2520574-A1 Amiloride analogues substituted on the cyclic guanidine moiety as ENaC blockers for treating respiratory diseases Novartis AG (CH) 2012-11-07 EP disclosed
EP-2444120-A1 Spirocyclic amiloride analogues as ENac blockers Novartis AG (CH) 2012-04-25 EP 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
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
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 US 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 (10 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 MAPT 2151/4885TP53 1370/4885ALDH1A1 1317/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 MAPT 4731/4885TP53 4393/4885ALDH1A1 2535/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 MAPT 4731/4885TP53 4393/4885ALDH1A1 2535/4885
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G MAPT 3437/4885TP53 2773/4885ALDH1A1 2199/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G MAPT 3437/4885TP53 2773/4885ALDH1A1 2199/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 MAPT 4731/4885TP53 4393/4885ALDH1A1 2535/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 MAPT 4731/4885TP53 4393/4885ALDH1A1 2535/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E MAPT 2151/4885TP53 1370/4885ALDH1A1 1317/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 MAPT 4731/4885TP53 4393/4885ALDH1A1 2535/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G MAPT 3437/4885TP53 2773/4885ALDH1A1 2199/4885

“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.