SCHEMBL21033019

SCHEMBL21033019

O=c1c2ccccc2sn1C1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPI P34949 4/20 0.58
CASP3 P42574 5/20 0.49
G6PD P11413 4/20 0.49
PMM2 O15305 3/20 0.46
PHOSPHO1 Q8TCT1 2/20 0.46
APOBEC3G Q9HC16 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CDK4 P11802 1/20 0.45
RAB9A P51151 1/20 0.41

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
SCHEMBL8621565 0.98 MPI (0.57) MPICASP3G6PDPMM2PHOSPHO1
SCHEMBL28457777 0.93 CASP3 (0.52) MPICASP3G6PDPMM2PHOSPHO1
SCHEMBL30434260 0.93 CASP3 (0.52) MPICASP3G6PDPMM2PHOSPHO1
SCHEMBL21033021 0.85 CASP3 (0.45) MPICASP3G6PDPMM2PHOSPHO1
SCHEMBL21033024 0.85 CASP3 (0.45) MPICASP3G6PDPMM2PHOSPHO1
SCHEMBL11533924 0.82 CASP3 (0.46) MPICASP3G6PDHPGDRAB9A
SCHEMBL787281 0.78 MPI (0.64) MPICDK4
SCHEMBL8625827 0.75 HPGD (0.63) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL30122754 0.75 CASP3 (0.51) MPICASP3G6PDPMM2PHOSPHO1
SCHEMBL787130 0.74 MPI (1.00) MPIG6PDPMM2PHOSPHO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053236-B2 Substituted isoselenazolone anti-infective, anti-inflammatory, anti-cancer, cytoprotective, neuroprotective, and anti-oxidant agents THE UNIVERSITY OF TOLEDO (US) 2021-07-06 US disclosed
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS THE UNIVERSITY OF TOLEDO (US) 2019-05-30 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 (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-11053236-B2 Substituted isoselenazolone anti-infective, anti-inflammatory, anti-cancer, cytoprotective, neuroprotective, and anti-oxidant agents AIFM1, HSPE1, COX15 MPI 1957/4885CASP3 10/4885G6PD 852/4885
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS AIFM1, HSPE1, COX15 MPI 1957/4885CASP3 10/4885G6PD 852/4885

“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.