SCHEMBL4014579

SCHEMBL4014579

COc1cc(N(C)C(=O)OC(C)(C)C)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
MAPT P10636 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
PAX8 Q06710 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
CREBBP Q92793 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
NOTUM Q6P988 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL31342724 1.00 BRD4 (0.43) BRD4MAPTAAK1PAX8MTNR1A
SCHEMBL19675253 0.84 AAK1 (0.40) MAPTAAK1MTNR1AMTNR1BALDH1A1
SCHEMBL27539398 0.83 ALDH1A1 (0.42) BRD4AAK1PAX8CREBBPALDH1A1
SCHEMBL31425873 0.81 MEN1 (0.42) BRD4MAPTPAX8CREBBPALDH1A1
SCHEMBL27831865 0.81 BRD4 (0.41) BRD4AAK1PAX8CREBBPNOTUM
SCHEMBL17783067 0.80 MAPT (0.47) MAPTAAK1ALDH1A1L3MBTL1HSD17B1
SCHEMBL15156318 0.80 ALDH1A1 (0.46) BRD4MAPTAAK1PAX8MTNR1A
SCHEMBL22272756 0.79 BRD4 (0.42) BRD4AAK1PAX8CREBBPNOTUM
SCHEMBL4022651 0.79 MTNR1A (0.38) MAPTAAK1MTNR1AMTNR1BALDH1A1
SCHEMBL31433093 0.79 TUBB4A (0.41) BRD4MAPTPAX8ALDH1A1L3MBTL1

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 BRD4 149/4885MAPT 2136/4885AAK1 4638/4885

“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.