SCHEMBL8210672

SCHEMBL8210672

CNC(=S)N/N=C(C)/C(C)=N/NC(=S)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.58
TDP1 Q9NUW8 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MAPT P10636 7/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 5/20 0.54
CYP3A4 P08684 2/20 0.52
TAS2R38 P59533 2/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 2/20 0.50
ALOX12 P18054 2/20 0.50
EPHX1 P07099 1/20 0.49
RAB9A P51151 2/20 0.48
NOX1 Q9Y5S8 1/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL8223150 0.93 GAA (0.60) GAATDP1NPSR1MAPTSMN1; SMN2
SCHEMBL12727664 0.91 GAA (0.50) GAATDP1NPSR1MAPTSMN1; SMN2
SCHEMBL12026319 0.87 GAA (0.49) GAATDP1NPSR1MAPTSMN1; SMN2
SCHEMBL12727671 0.85 GAA (0.53) GAATDP1NPSR1MAPTSMN1; SMN2
SCHEMBL12045486 0.84 GAA (0.44) GAATDP1NPSR1MAPTSMN1; SMN2
SCHEMBL12727673 0.83 GAA (0.57) GAATDP1NPSR1MAPTSMN1; SMN2
SCHEMBL1641570 0.83 GAA (0.57) GAATDP1NPSR1MAPTSMN1; SMN2
SCHEMBL7499424 0.82 GAA (0.60) GAATDP1NPSR1MAPTSMN1; SMN2
SCHEMBL25342487 0.81 GAA (0.51) GAATDP1NPSR1MAPTSMN1; SMN2
SCHEMBL8221350 0.80 GAA (0.57) GAATDP1NPSR1MAPTSMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11123350-B2 Metal delivery agents and therapeutic uses of the same THE UNIVERSITY OF MELBOURNE (AU) 2021-09-21 US disclosed
US-20190298734-A1 Metal Delivery Agents and Therapeutic Uses of the Same THE UNIVERSITY OF MELBOURNE (AU) 2019-10-03 US disclosed
US-10413554-B2 Metal delivery agents and therapeutic uses of the same UNIV MELBOURNE (AU) 2019-09-17 US disclosed
US-20180140613-A1 Metal Delivery Agents and Therapeutic Uses of the Same THE UNIVERSITY OF MELBOURNE (AU) 2018-05-24 US disclosed
US-20180140613-A1 Metal Delivery Agents and Therapeutic Uses of the Same THE UNIVERSITY OF MELBOURNE (AU) 2018-05-24 US disclosed
EP-3238719-A1 METAL DELIVERY AGENTS FOR THE TREATMENT OF MULTIPLE SCLEROSIS The University of Melbourne (AU) 2017-11-01 EP disclosed
EP-2813223-B1 Metal delivery agents and terapeutic uses of the same UNIV MELBOURNE (AU) 2017-10-25 EP disclosed
US-20150105461-A1 Metal Delivery Agents and Therapeutic Uses of the Same THE UNIVERSITY OF MELBOURNE (AU) 2015-04-16 US disclosed
US-20150105461-A1 Metal Delivery Agents and Therapeutic Uses of the Same THE UNIVERSITY OF MELBOURNE (AU) 2015-04-16 US disclosed
EP-2813223-A1 Metal delivery agents and terapeutic uses of the same The University of Melbourne (AU) 2014-12-17 EP disclosed
US-20120270850-A1 METAL DELIVERY AGENTS AND THERAPEUTIC USES OF THE SAME UNIVERSITY OF MEDLBOURNE (AU) 2012-10-25 US disclosed
US-20120270850-A1 METAL DELIVERY AGENTS AND THERAPEUTIC USES OF THE SAME UNIVERSITY OF MEDLBOURNE (AU) 2012-10-25 US disclosed
WO-2008061306-A1 METAL DELIVERY AGENTS AND THERAPEUTIC USES OF THE SAME THE UNIVERSITY OF MELBOURNE (AU) 2008-05-29 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 (6 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-20120270850-A1 METAL DELIVERY AGENTS AND THERAPEUTIC USES OF THE SAME SOD1, SLC30A6, SLC30A5 GAA 93/4885TDP1 1033/4885NPSR1 2215/4885
US-10413554-B2 Metal delivery agents and therapeutic uses of the same SOD1, SLC30A6, SLC30A5 GAA 93/4885TDP1 1029/4885NPSR1 2231/4885
US-20150105461-A1 Metal Delivery Agents and Therapeutic Uses of the Same SOD1, SLC30A6, SLC30A5 GAA 93/4885TDP1 1033/4885NPSR1 2215/4885
US-20180140613-A1 Metal Delivery Agents and Therapeutic Uses of the Same SOD1, SLC30A6, SLC30A5 GAA 93/4885TDP1 1033/4885NPSR1 2215/4885
US-11123350-B2 Metal delivery agents and therapeutic uses of the same SOD1, SLC30A6, SLC30A5 GAA 93/4885TDP1 1033/4885NPSR1 2215/4885
US-20190298734-A1 Metal Delivery Agents and Therapeutic Uses of the Same SOD1, SLC30A6, SLC30A5 GAA 93/4885TDP1 1033/4885NPSR1 2215/4885

“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.