SCHEMBL4014407

SCHEMBL4014407

CN(C)c1ccc(-c2ccc3nonc3c2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
TDO2 P48775 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
APP P05067 3/20 0.37
PGR P06401 1/20 0.36
TERT O14746 1/20 0.36
PSMB5 P28074 2/20 0.35
RIPK2 O43353 1/20 0.34
TGFBR1 P36897 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 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
SCHEMBL4013687 0.81 LCK (0.42) TDO2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL4499060 0.80 CYP1A2 (0.49) ENPP2TDO2KDM4EMEN1ALDH1A1
SCHEMBL4015933 0.76 NOTUM (0.46) ENPP2TDO2KDM4EALDH1A1TP53
SCHEMBL4014202 0.76 ENPP2 (0.43) ENPP2TDO2MAPTNPC1RAB9A
SCHEMBL7438020 0.76 TDO2 (0.53) ENPP2TDO2MEN1ALDH1A1KMT2A
SCHEMBL4015387 0.72 TDO2 (0.52) ENPP2TDO2ALDH1A1MAPTHSD17B10
SCHEMBL3078778 0.70 ENPP2 (0.58) ENPP2TDO2KDM4EALDH1A1HSD17B10
SCHEMBL7679442 0.69 ENPP2 (0.50) ENPP2TDO2KDM4EMEN1TP53
SCHEMBL4014732 0.69 ENPP2 (0.39) ENPP2TDO2MAPTNPC1RAB9A
SCHEMBL4017879 0.66 APP (0.43) ENPP2TDO2KDM4EMEN1ALDH1A1

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 1336/4885KDM4E 3716/4885

“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.