SCHEMBL4013538

SCHEMBL4013538

COc1cc(N(C)C(=O)OC(C)(C)C)ccc1-c1ccc2nonc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.41
BRD4 O60885 2/20 0.39
PTPN11 Q06124 9/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
CREBBP Q92793 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
RIPK2 O43353 1/20 0.35
ALDH1A1 P00352 2/20 0.34
APP P05067 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL4016564 0.85 PTPN11 (0.35) PTPN11NPC1POLBMAPTRAB9A
SCHEMBL4015930 0.84 PAX8 (0.50) PAX8BRD4NPC1POLBMAPT
SCHEMBL4013687 0.80 LCK (0.42) PTPN11NPC1POLBMAPTRAB9A
SCHEMBL31342724 0.74 BRD4 (0.43) PAX8BRD4MAPTCREBBPAAK1
SCHEMBL4014579 0.74 BRD4 (0.43) PAX8BRD4MAPTCREBBPAAK1
SCHEMBL18896595 0.74 GPBAR1 (0.40) BRD4AAK1
SCHEMBL27539398 0.71 ALDH1A1 (0.42) PAX8BRD4CREBBPAAK1ALDH1A1
SCHEMBL15156318 0.69 ALDH1A1 (0.46) PAX8BRD4MAPTAAK1ALDH1A1
SCHEMBL12324089 0.68 PAX8 (0.51) PAX8NPC1MAPTRAB9AALDH1A1
SCHEMBL31433093 0.68 TUBB4A (0.41) PAX8BRD4NPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632851-B2 Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers NOVARTIS AG (CH) 2009-12-15 US disclosed
EP-1613610-B1 BENZO 1,2,5 OXADIAZOLES AND BENZO 1,2,5 THIADIAZOLES USEFUL AS HISTOPATHOLOGICAL STAINING AGENTS, IMAGING AGENTS AND BIOMARKERS NOVARTIS AG (CH) 2009-07-01 EP disclosed
US-20060093551-A1 Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers NOVARTIS AG (CH) 2006-05-04 US disclosed
EP-1613610-A1 BENZO 1,2,5 OXADIAZOLES AND BENZO 1,2,5 THIADIAZOLES USEFUL AS HISTOPATHOLOGICAL STAINING AGENTS, IMAGING AGENTS AND BIOMARKERS Novartis AG (CH) 2006-01-11 EP disclosed
WO-2004087684-A1 BENZO[1,2,5]OXADIAZOLES AND BENZO [1,2,5]THIADIAZOLES USEFUL AS HISTOPATHOLOGICAL STAINING AGENTS, IMAGING AGENTS AND BIOMARKERS NOVARTIS AG (CH) 2004-10-14 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 (1 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-20060093551-A1 Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers H1-3, MKI67, H1-5 PAX8 1249/4885BRD4 149/4885PTPN11 2854/4885

“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.