SCHEMBL1684557

SCHEMBL1684557

Cc1[nH]c2ccc(CC(=O)O)cc2c1C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.70
▸ MAPT P10636 7/20 0.70
▸ ALDH1A1 P00352 6/20 0.70
▸ HPGD P15428 4/20 0.70
▸ HSD17B10 Q99714 3/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ THRB P10828 1/20 0.59
▸ GAA P10253 3/20 0.55
▸ HCRTR1 O43613 1/20 0.52
▸ PPARG P37231 3/20 0.51
▸ AKR1C2 P52895 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ TSHR P16473 1/20 0.46
▸ TBXAS1 P24557 1/20 0.46

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
SCHEMBL5717524 0.86 KDM4E (0.54) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL31324205 0.81 KDM4E (0.81) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL20424627 0.79 HPGD (0.68) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL30639791 0.79 HPGD (0.68) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL17444602 0.79 KDM4E (0.70) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL5023941 0.78 MAPT (0.57) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL14389440 0.77 KDM4E (0.71) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL3995101 0.77 THRB (0.56) THRBAKR1C2
SCHEMBL3924708 0.77 THRB (0.54) KDM4EALDH1A1HPGDTHRBPPARG
SCHEMBL1913689 0.76 MAPT (0.51) KDM4EMAPTALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 — — US disclosed
CN-1492874-A Macrolide antibiotics — 2004-04-28 — — CN disclosed
EP-0147085-B1 SUBSTITUTED TRANS-1.2-DIAMINOCYCLOHEXYL AMIDE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1990-03-14 — — EP disclosed
US-4738981-A ANALGESICS WARNER-LAMBERT (US) 1988-04-19 — — US disclosed
US-4656182-A ANALGESICS, DIURETICS, PSYCHOTHERAPEUTIC AGENTS WARNER-LAMBERT COMPANY (US) 1987-04-07 — — US disclosed
EP-0147085-A2 Substituted trans-1.2-diaminocyclohexyl amide compounds WARNER-LAMBERT COMPANY (US) 1985-07-03 — — 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 (11 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 KDM4E 2779/4885MAPT 2151/4885ALDH1A1 1317/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885MAPT 3557/4885ALDH1A1 2549/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 KDM4E 4481/4885MAPT 4731/4885ALDH1A1 2535/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 KDM4E 4481/4885MAPT 4731/4885ALDH1A1 2535/4885
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G KDM4E 2621/4885MAPT 3437/4885ALDH1A1 2199/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G KDM4E 2621/4885MAPT 3437/4885ALDH1A1 2199/4885
US-20140121208-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 KDM4E 4481/4885MAPT 4731/4885ALDH1A1 2535/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 KDM4E 4481/4885MAPT 4731/4885ALDH1A1 2535/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E KDM4E 2779/4885MAPT 2151/4885ALDH1A1 1317/4885
US-20150150879-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 KDM4E 4481/4885MAPT 4731/4885ALDH1A1 2535/4885
US-20140171421-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G KDM4E 2621/4885MAPT 3437/4885ALDH1A1 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.

Send feedback