SCHEMBL4015563

SCHEMBL4015563

COc1cc(NCCF)ccc1-c1ccc2nonc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
APP P05067 2/20 0.39
PIK3CD O00329 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
PDE4B Q07343 1/20 0.38
CYP1A2 P05177 5/20 0.37
CYP3A4 P08684 5/20 0.37
CYP2D6 P10635 5/20 0.37
CLK4 Q9HAZ1 5/20 0.37
CYP2C19 P33261 4/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 4/20 0.37
HSD17B10 Q99714 4/20 0.37
LMNA P02545 3/20 0.37
KCNH2 Q12809 1/20 0.35
PTPN11 Q06124 1/20 0.35
USP2 O75604 3/20 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
SCHEMBL4014543 0.83 NPC1 (0.42) CNR2APPPIK3CDNPC1POLB
SCHEMBL4014732 0.82 ENPP2 (0.39) CNR2APPPIK3CDNPC1POLB
SCHEMBL4018527 0.79 APP (0.41) CNR2APPPIK3CDNPC1POLB
SCHEMBL4013687 0.73 LCK (0.42) APPPIK3CDNPC1POLBMAPT
SCHEMBL4016564 0.69 PTPN11 (0.35) APPNPC1POLBMAPTRAB9A
SCHEMBL23523717 0.69 SMN1; SMN2 (0.48) NPC1POLBMAPTRAB9AALDH1A1
SCHEMBL7675643 0.67 RAB9A (0.49) PIK3CDNPC1POLBMAPTRAB9A
SCHEMBL3806314 0.66 CNR2 (0.47) CNR2POLBPDE4BLMNA
SCHEMBL4014202 0.65 ENPP2 (0.43) APPPIK3CDNPC1POLBMAPT
SCHEMBL7614651 0.65 SMN1; SMN2 (0.43) PIK3CDNPC1MAPTRAB9APDE4B

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 CNR2 606/4885APP 3464/4885PIK3CD 4282/4885

“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.