SCHEMBL4014202

SCHEMBL4014202

CNc1ccc(-c2ccc3nonc3c2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
TDO2 P48775 1/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
APP P05067 5/20 0.37
SULT1A1 P50225 1/20 0.37
EPAS1 Q99814 1/20 0.35
PIK3CD O00329 1/20 0.34
RIPK2 O43353 1/20 0.34
PTPN11 Q06124 1/20 0.33
EGFR P00533 1/20 0.33
TGFBR1 P36897 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK1 P28482 1/20 0.33
FABP4 P15090 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
SCHEMBL4014543 0.81 NPC1 (0.42) TDO2MAPTNPC1POLBRAB9A
SCHEMBL4016183 0.80 ENPP2 (0.42) ENPP2TDO2MAPTNPC1POLB
SCHEMBL4014732 0.80 ENPP2 (0.39) ENPP2TDO2MAPTNPC1POLB
SCHEMBL4649312 0.80 NPC1 (0.49) ENPP2TDO2MAPTNPC1POLB
SCHEMBL4016472 0.76 TDO2 (0.40) ENPP2TDO2MAPTNPC1POLB
SCHEMBL4014407 0.76 ENPP2 (0.43) ENPP2TDO2MAPTNPC1RAB9A
SCHEMBL7438020 0.76 TDO2 (0.53) ENPP2TDO2NPC1POLBRAB9A
SCHEMBL3078778 0.70 ENPP2 (0.58) ENPP2TDO2EPAS1PIK3CDRIPK2
SCHEMBL7679442 0.69 ENPP2 (0.50) ENPP2TDO2MAPTNPC1RAB9A
SCHEMBL4015871 0.67 KMT2A (0.41) NPC1POLBEPAS1MAPK1

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 4495/4885TDO2 1336/4885MAPT 2136/4885

“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.