SCHEMBL1586597

SCHEMBL1586597

OCC(O)COc1ccc(I)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APP P05067 2/20 0.45
CYP1A2 P05177 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 1/20 0.44
AGTR1 P30556 1/20 0.44
ATM Q13315 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 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
SCHEMBL1586593 1.00 AR (0.53) ARTSHRMAPK1MAPTLMNA
SCHEMBL6228324 0.89 AR (0.61) ARTSHRMAPK1MAPTLMNA
SCHEMBL8811629 0.83 AR (0.56) ARTSHRMAPK1MAPTLMNA
SCHEMBL5010945 0.83 AR (0.56) ARTSHRMAPK1MAPTLMNA
SCHEMBL34468026 0.82 SMN1; SMN2 (0.53) TSHRMAPTLMNAPOLBNPSR1
SCHEMBL20314692 0.82 AR (0.54) ARTSHRMAPK1MAPTLMNA
SCHEMBL6746278 0.82 AR (0.54) ARTSHRMAPK1MAPTLMNA
SCHEMBL11247517 0.82 PTGS1 (0.59) ARTSHRMAPK1MAPTLMNA
SCHEMBL43535 0.82 PTGS1 (0.59) ARTSHRMAPK1MAPTLMNA
SCHEMBL21194 0.80 CYP1A2 (0.60) ARTSHRMAPK1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2562155-B1 HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2019-06-05 EP disclosed
EP-2562155-B1 HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2019-06-05 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-9499477-B2 Hydroxamic acid derivative TOYAMA CHEMICAL CO., LTD. (JP) 2016-11-22 US disclosed
US-9499477-B2 Hydroxamic acid derivative TOYAMA CHEMICAL CO., LTD. (JP) 2016-11-22 US disclosed
US-9499477-B2 Hydroxamic acid derivative TOYAMA CHEMICAL CO., LTD. (JP) 2016-11-22 US disclosed
EP-2231280-B1 Amiloride-like Pyrazine-carboxamides as ENaC blockers NOVARTIS AG (CH) 2016-08-10 EP 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-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
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
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
US-5273993-A Antiarthritic agents; osteoporosis A. H. ROBINS COMPANY, INCORPORATED (US) 1993-12-28 US disclosed
US-5194446-A Antiarthritic agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-16 US disclosed
US-5025031-A Aryl and aryloxyalkyl sulfamate esters useful as anticonvulsants A. H. ROBINS CO., INC. (US) 1991-06-18 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 (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-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 AR 4425/4885TSHR 3893/4885MAPK1 2283/4885
US-20110237572-A1 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives SCNN1B, SCNN1A, SCNN1G AR 1359/4885TSHR 515/4885MAPK1 2556/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G AR 1359/4885TSHR 515/4885MAPK1 2556/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 AR 4425/4885TSHR 3893/4885MAPK1 2283/4885
US-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E AR 700/4885TSHR 875/4885MAPK1 1899/4885

“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.