SCHEMBL8209943

SCHEMBL8209943

CCNC(=S)N/N=C/C=N/NC(=S)NC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
TOP2A P11388 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PHGDH O43175 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL31753526 0.85 POLB (0.46) ALDH1A1NPSR1LMNASMN1; SMN2HTT
SCHEMBL8221437 0.85 POLB (0.46) ALDH1A1NPSR1LMNASMN1; SMN2HTT
SCHEMBL15841353 0.83 POLB (0.44) ALDH1A1NPSR1LMNASMN1; SMN2HTT
SCHEMBL13856955 0.79 ALDH1A1 (0.40) ALDH1A1CYP3A4NPSR1LMNASMN1; SMN2
SCHEMBL8221848 0.76 ALDH1A1 (0.46) ALDH1A1CYP3A4NPSR1LMNAGAA
SCHEMBL21761727 0.76 LMNA (0.36) ALDH1A1NPSR1LMNASMN1; SMN2HTT
SCHEMBL4570865 0.75
SCHEMBL21761728 0.73 POLB (0.39) ALDH1A1NPSR1LMNASMN1; SMN2HTT
SCHEMBL8217967 0.73 KMT2A (0.51) ALDH1A1NPSR1LMNASMN1; SMN2HTT
SCHEMBL8209950 0.73 MAPT (0.56) ALDH1A1CYP3A4LMNASMN1; SMN2HTT

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 ALDH1A1 1523/4885CYP3A4 4635/4885NPSR1 2215/4885
US-10413554-B2 Metal delivery agents and therapeutic uses of the same SOD1, SLC30A6, SLC30A5 ALDH1A1 1497/4885CYP3A4 4683/4885NPSR1 2231/4885
US-20150105461-A1 Metal Delivery Agents and Therapeutic Uses of the Same SOD1, SLC30A6, SLC30A5 ALDH1A1 1523/4885CYP3A4 4635/4885NPSR1 2215/4885
US-20180140613-A1 Metal Delivery Agents and Therapeutic Uses of the Same SOD1, SLC30A6, SLC30A5 ALDH1A1 1523/4885CYP3A4 4635/4885NPSR1 2215/4885
US-11123350-B2 Metal delivery agents and therapeutic uses of the same SOD1, SLC30A6, SLC30A5 ALDH1A1 1523/4885CYP3A4 4635/4885NPSR1 2215/4885
US-20190298734-A1 Metal Delivery Agents and Therapeutic Uses of the Same SOD1, SLC30A6, SLC30A5 ALDH1A1 1523/4885CYP3A4 4635/4885NPSR1 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.