SCHEMBL19747532

SCHEMBL19747532

O=C(Nc1ccccn1)c1ccccc1I

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
KDM4E B2RXH2 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
CHRNB2 P17787 1/20 0.63
CHRNB4 P30926 1/20 0.63
CHRNA3 P32297 1/20 0.63
CHRNA4 P43681 1/20 0.63
NPC1 O15118 8/20 0.62
RAB9A P51151 8/20 0.62
GAA P10253 2/20 0.61
TP53 P04637 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PKM P14618 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
SGMS2 Q8NHU3 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KCNMA1 Q12791 1/20 0.55
SORT1 Q99523 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL8433498 0.81 MEN1 (1.00) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL17675194 0.81 MEN1 (0.71) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL28498363 0.80 ATM (0.68) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL29444017 0.80 MEN1 (0.69) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL30339171 0.80 MEN1 (0.69) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL13162953 0.80 MEN1 (0.69) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL27473596 0.80 MEN1 (0.69) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL14636633 0.80 MEN1 (0.69) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL5225094 0.80 KMT2A (0.69) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL30362638 0.80 MEN1 (0.69) MEN1KMT2AKDM4EL3MBTL1CHRNB2

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 MEN1 67/4885KMT2A 4789/4885KDM4E 3701/4885
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS AIFM1, HSPE1, COX15 MEN1 67/4885KMT2A 4789/4885KDM4E 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.