SCHEMBL4014543

SCHEMBL4014543

CNc1ccc(-c2ccc3nonc3c2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
PDE4B Q07343 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIK3CD O00329 1/20 0.39
TDO2 P48775 1/20 0.38
PTPN11 Q06124 1/20 0.38
IMPDH2 P12268 3/20 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
SCHEMBL4015563 0.83 CNR2 (0.41) NPC1POLBMAPTRAB9APDE4B
SCHEMBL4014202 0.81 ENPP2 (0.43) NPC1POLBMAPTRAB9AMAPK1
SCHEMBL4013687 0.78 LCK (0.42) NPC1POLBMAPTRAB9APDE4B
SCHEMBL4016183 0.77 ENPP2 (0.42) NPC1POLBMAPTRAB9APIK3CD
SCHEMBL4649312 0.77 NPC1 (0.49) NPC1POLBMAPTRAB9AALDH1A1
SCHEMBL4016472 0.73 TDO2 (0.40) NPC1POLBMAPTRAB9ACYP1A2
SCHEMBL6161943 0.73 KCNH2 (0.43) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22187984 0.73 AAK1 (0.54) NPC1POLBRAB9AALDH1A1IMPDH2
SCHEMBL5585214 0.72 PDE4B (0.42) PDE4BCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7675643 0.71 RAB9A (0.49) NPC1POLBMAPTRAB9APDE4B

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 NPC1 395/4885POLB 2487/4885MAPT 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.