SCHEMBL19747244

SCHEMBL19747244

COc1ccc(NC(=O)c2ccccc2I)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.70
▸ RAB9A P51151 6/20 0.70
▸ MEN1 O00255 10/20 0.68
▸ KMT2A Q03164 10/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68
▸ METAP2 P50579 1/20 0.67
▸ LMNA P02545 2/20 0.65
▸ GAA P10253 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ POLB P06746 2/20 0.65
▸ PNLIP P16233 1/20 0.65
▸ CASP3 P42574 1/20 0.61
▸ SENP7 Q9BQF6 1/20 0.61
▸ SENP6 Q9GZR1 1/20 0.61
▸ TP53 P04637 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ AHR P35869 1/20 0.58
▸ MAPT P10636 2/20 0.57
▸ MAPK1 P28482 1/20 0.56

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
SCHEMBL28509164 0.84 MEN1 (0.73) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL29168833 0.84 NPC1 (0.72) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL28498495 0.84 RAB9A (0.71) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL29285017 0.83 SMN1; SMN2 (0.66) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL3949532 0.83 KMT2A (0.78) NPC1RAB9AMEN1KMT2AMETAP2
SCHEMBL10062017 0.83 NPC1 (1.00) NPC1RAB9AMEN1KMT2AMETAP2
SCHEMBL5080078 0.83 PNLIP (0.91) NPC1RAB9AMEN1KMT2AMETAP2
SCHEMBL12189549 0.83 NPC1 (0.72) NPC1RAB9AMEN1KMT2AMETAP2
SCHEMBL30030085 0.82 KMT2A (0.74) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL11590379 0.82 KMT2A (0.74) NPC1RAB9AMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466799-B N-substituted phthalic acid diamide preparation method of imine compound 西北师范大学 2024-12-24 — — CN claimed
CN-117466799-A Preparation method of N-substituted phthalimide compound 西北师范大学 2024-01-30 — — CN claimed
CN-117466799-B N-substituted phthalic acid diamide preparation method of imine compound 西北师范大学 2024-12-24 — — CN disclosed
CN-116535344-B Phthalimide preparation method of class compound 华南理工大学 2024-10-01 — — CN disclosed
CN-117466799-A Preparation method of N-substituted phthalimide compound 西北师范大学 2024-01-30 — — CN disclosed
CN-112110877-B Benzisoselenazolone derivative, preparation method and application thereof in anti-coronavirus medicament 青岛大学 2023-09-08 — — CN disclosed
CN-116535344-A Preparation method of phthalimide compound 华南理工大学 2023-08-04 — — CN disclosed
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
CN-112110877-A Benzisoselenazolone derivative, preparation method and application in anti-coronavirus drugs 青岛大学 2020-12-22 — — CN 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
CN-103224498-A New synthetic methods of two azol quinazolinone fused heterocycles CHEN DINGBEN 2013-07-31 — — CN 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 1960/4885RAB9A 3944/4885MEN1 67/4885
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS AIFM1, HSPE1, COX15 NPC1 1960/4885RAB9A 3944/4885MEN1 67/4885

“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.

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