SCHEMBL4016183

SCHEMBL4016183

CNc1ccc(-c2ccc3nonc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
PIK3CD O00329 1/20 0.41
KIF11 P52732 1/20 0.40
APP P05067 11/20 0.40
SNCA P37840 1/20 0.40
TDO2 P48775 1/20 0.40
EPAS1 Q99814 1/20 0.40
SULT1A1 P50225 1/20 0.39
TGFBR1 P36897 1/20 0.38

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
SCHEMBL4016472 0.84 TDO2 (0.40) ENPP2MAPTNPC1POLBRAB9A
SCHEMBL4649312 0.84 NPC1 (0.49) ENPP2MAPTNPC1POLBRAB9A
SCHEMBL3078778 0.82 ENPP2 (0.58) ENPP2PIK3CDTDO2EPAS1TGFBR1
SCHEMBL4014202 0.80 ENPP2 (0.43) ENPP2MAPTNPC1POLBRAB9A
SCHEMBL4014543 0.77 NPC1 (0.42) MAPTNPC1POLBRAB9APIK3CD
SCHEMBL4018527 0.76 APP (0.41) ENPP2MAPTNPC1POLBRAB9A
SCHEMBL23143419 0.75 ENPP2 (0.47) ENPP2MAPTPIK3CDKIF11TDO2
SCHEMBL28897577 0.75 ENPP2 (0.47) ENPP2NPC1RAB9APIK3CDTDO2
SCHEMBL4020811 0.74 KDM4E (0.49) MAPTNPC1POLBRAB9APIK3CD
SCHEMBL4499060 0.74 CYP1A2 (0.49) ENPP2MAPTNPC1RAB9AAPP

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 ENPP2 4495/4885MAPT 2136/4885NPC1 395/4885

“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.