SCHEMBL19747579

SCHEMBL19747579

COc1ccccc1CNC(=O)c1ccccc1I

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.78
ALDH1A1 P00352 6/20 0.71
KDM4E B2RXH2 2/20 0.71
RCE1 Q9Y256 1/20 0.71
HTT P42858 2/20 0.64
GAA P10253 2/20 0.64
PKM P14618 1/20 0.64
KMT2A Q03164 1/20 0.63
NPC1 O15118 1/20 0.62
HDAC1 Q13547 1/20 0.60
PLA2G1B P04054 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
NLRP3 Q96P20 1/20 0.60
TDP1 Q9NUW8 1/20 0.58
TP53 P04637 1/20 0.57
GLA P06280 1/20 0.57

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
SCHEMBL20963267 0.83 HPGD (0.56) HPGDALDH1A1KDM4ERCE1HTT
SCHEMBL7651189 0.83 HPGD (1.00) HPGDALDH1A1KDM4ERCE1HTT
SCHEMBL27463741 0.81 HPGD (0.79) HPGDALDH1A1KDM4ERCE1HTT
SCHEMBL12218248 0.80 HDAC1 (0.77) HPGDALDH1A1KDM4ERCE1HTT
SCHEMBL22972357 0.80 HPGD (0.72) HPGDALDH1A1KDM4ERCE1HTT
SCHEMBL12821388 0.79 HPGD (0.67) HPGDALDH1A1KDM4ERCE1HTT
SCHEMBL6848785 0.79 HTT (0.83) HPGDALDH1A1KDM4ERCE1HTT
SCHEMBL3174681 0.79 HPGD (0.72) HPGDALDH1A1KDM4ERCE1HTT
SCHEMBL13534519 0.78 HPGD (0.70) HPGDALDH1A1KDM4ERCE1HTT
SCHEMBL6290073 0.77 HPGD (0.70) HPGDALDH1A1HTTGAAKMT2A

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 3 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
WO-2017223160-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS THE UNIVERSITY OF TOLEDO (US) 2017-12-28 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-11053236-B2 Substituted isoselenazolone anti-infective, anti-inflammatory, anti-cancer, cytoprotective, neuroprotective, and anti-oxidant agents AIFM1, HSPE1, COX15 HPGD 212/4885ALDH1A1 988/4885KDM4E 3701/4885
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS AIFM1, HSPE1, COX15 HPGD 212/4885ALDH1A1 988/4885KDM4E 3701/4885

“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.