SCHEMBL19747534

SCHEMBL19747534

O=C(NCC1CCCCC1)c1ccccc1I

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
EPHX1 P07099 1/20 0.52
RAB9A P51151 1/20 0.52
P2RX7 Q99572 1/20 0.52
CNR1 P21554 5/20 0.52
CNR2 P34972 3/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL5259572 0.82 NPC1 (0.60) NPC1EPHX1RAB9AP2RX7CNR1
SCHEMBL6175361 0.82 NPC1 (0.61) NPC1EPHX1RAB9AP2RX7KMT2A
SCHEMBL10600508 0.81 NPC1 (0.59) NPC1EPHX1RAB9AP2RX7CNR1
SCHEMBL13162648 0.80 NPC1 (0.59) NPC1RAB9AP2RX7KMT2A
SCHEMBL16641665 0.78 KDM4E (0.48) NPC1CNR1CNR2KMT2AMEN1
SCHEMBL25123079 0.78 SMN1; SMN2 (0.76) NPC1EPHX1RAB9AKMT2AMEN1
SCHEMBL4522241 0.78 SMN1; SMN2 (0.76) NPC1EPHX1RAB9AKMT2AMEN1
SCHEMBL8395225 0.78 SMN1; SMN2 (0.76) NPC1EPHX1RAB9AKMT2AMEN1
SCHEMBL6355637 0.77 NPC1 (0.60) NPC1EPHX1RAB9AP2RX7CNR1
SCHEMBL11331619 0.76 ALDH1A1 (0.69) NPC1RAB9AKMT2AMEN1ALDH1A1

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 NPC1 1960/4885EPHX1 3866/4885RAB9A 3944/4885
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS AIFM1, HSPE1, COX15 NPC1 1960/4885EPHX1 3866/4885RAB9A 3944/4885

“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.