SCHEMBL17141384

SCHEMBL17141384

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COc2cccs2)C(O)C1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.65
ADORA3 P0DMS8 2/20 0.65
ADORA2A P29274 2/20 0.65
ADORA2B P29275 2/20 0.65
SMN1; SMN2 Q16637 3/20 0.64
DPP4 P27487 1/20 0.64
MEN1 O00255 1/20 0.64
SLC28A1 O00337 1/20 0.64
MAP3K7 O43318 1/20 0.64
SLC28A2 O43868 1/20 0.64
GAPDH P04406 1/20 0.64
MAPK1 P28482 1/20 0.64
STAT6 P42226 1/20 0.64
PI4KA P42356 1/20 0.64
KMT2A Q03164 1/20 0.64
PI4K2B Q8TCG2 1/20 0.64
DOT1L Q8TEK3 1/20 0.64
SLC29A1 Q99808 1/20 0.64
PI4K2A Q9BTU6 1/20 0.64
SLC28A3 Q9HAS3 1/20 0.64

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
SCHEMBL13269106 0.87 ADORA1 (0.61) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL6905464 0.84 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL1434032 0.84 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL9341019 0.82 ADORA1 (0.68) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL10997946 0.82 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL5024895 0.82 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL7803298 0.82 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL481524 0.82 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL12963362 0.82 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL2040670 0.82 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2

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
US-20230181498-A1 NEW USE OF N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE EMERAMED LIMITED (IE) 2023-06-15 US disclosed
US-11628151-B2 N,N-bis-2-mercaptoethyl isophthalamide for the treatment of neurodegenerative diseases EMERAMED LIMITED (IE) 2023-04-18 US disclosed
EP-4132501-A1 NEW USE OF N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE EmeraMed Limited (IE) 2023-02-15 EP disclosed
US-20230013704-A1 N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES EMERAMED LTD (IE) 2023-01-19 US disclosed
EP-4029497-A1 NEW USE OF N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE FOR TREATING OR PREVENTING PARACETAMOL TOXICITY EmeraMed Limited (IE) 2022-07-20 EP disclosed
EP-3493849-B1 NEW USE OF N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE EMERAMED LTD (IE) 2021-12-01 EP disclosed
EP-3903774-A1 N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES EmeraMed Limited (IE) 2021-11-03 EP disclosed
US-20190240173-A1 NEW USE OF N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE EMERAMED LIMITED (IE) 2019-08-08 US disclosed
US-20180250247-A1 N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES EMERAMED LTD (IE) 2018-09-06 US disclosed
EP-3125876-B1 NEW USE OF N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE EMERAMED LTD (IE) 2017-11-29 EP disclosed
US-9782368-B2 Use of N,N-bis-2-mercaptoethyl isophthalamide EMERAMED LIMITED (IE) 2017-10-10 US disclosed
US-20170202791-A1 N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES EMERAMED LIMITED (IE) 2017-07-20 US disclosed
US-20170157072-A1 NEW USE OF N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE EMERAMED LIMITED (IE) 2017-06-08 US disclosed
EP-3148588-A1 N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Emeramed Limited (IE) 2017-04-05 EP disclosed
EP-3125876-A1 NEW USE OF N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE Emeramed Limited (IE) 2017-02-08 EP disclosed
WO-2015181567-A1 N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ERMES MEDICAL COMPANY LIMITED (IE) 2015-12-03 WO disclosed
WO-2015150793-A1 NEW USE OF N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE ERMES MEDICAL COMPANY LTD (IE) 2015-10-08 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 (2 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-20190240173-A1 NEW USE OF N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE NNMT, NPM1, SLC10A1 ADORA1 3047/4885ADORA3 2672/4885ADORA2A 1914/4885
US-20230181498-A1 NEW USE OF N,N-BIS-2-MERCAPTOETHYL ISOPHTHALAMIDE MME, NNMT, NPM1 ADORA1 2861/4885ADORA3 2492/4885ADORA2A 1866/4885

“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.