SCHEMBL4014732

SCHEMBL4014732

Oc1cc(NCCF)ccc1-c1ccc2nonc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
APP P05067 5/20 0.38
TDO2 P48775 1/20 0.37
EPAS1 Q99814 1/20 0.35
CNR2 P34972 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
FABP4 P15090 1/20 0.33
PIK3CD O00329 1/20 0.32
ESR1 P03372 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4018527 0.83 APP (0.41) ENPP2APPTDO2EPAS1CNR2
SCHEMBL4015563 0.82 CNR2 (0.41) APPTDO2CNR2MAPTNPC1
SCHEMBL4014202 0.80 ENPP2 (0.43) ENPP2APPTDO2EPAS1MAPT
SCHEMBL7438020 0.71 TDO2 (0.53) ENPP2APPTDO2NPC1POLB
SCHEMBL4014407 0.69 ENPP2 (0.43) ENPP2APPTDO2MAPTNPC1
SCHEMBL4013344 0.67 MAPT (0.39) MAPTFABP4PIK3CDEGLN1ADORA3
SCHEMBL3078778 0.66 ENPP2 (0.58) ENPP2TDO2EPAS1FABP4PIK3CD
SCHEMBL7679442 0.65 ENPP2 (0.50) ENPP2TDO2MAPTNPC1RAB9A
SCHEMBL4014543 0.63 NPC1 (0.42) APPTDO2CNR2MAPTNPC1
SCHEMBL23523795 0.62 S1PR1 (0.44) CNR2MAPTPOLBKCNH2

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-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

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 4495/4885APP 3464/4885TDO2 1336/4885

“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.