SCHEMBL4015387

SCHEMBL4015387

CN(C)c1ccccc1-c1ccc2nonc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.52
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ENPP2 Q13822 2/20 0.38
CYP1A2 P05177 5/20 0.38
CYP3A4 P08684 5/20 0.38
CYP2D6 P10635 4/20 0.38
TSHR P16473 3/20 0.38
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C9 P11712 1/20 0.38
FABP4 P15090 3/20 0.36
METAP2 P50579 2/20 0.36
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
PTPN11 Q06124 1/20 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
SCHEMBL4017762 0.77 TDO2 (0.52) TDO2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL7438020 0.75 TDO2 (0.53) TDO2ENPP2CYP1A2CYP2C19ALDH1A1
SCHEMBL19698852 0.74 MAPT (0.47) GAAMAPTTSHRALDH1A1CLK4
SCHEMBL18076341 0.73 MAPT (0.47) GAAMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL4499060 0.73 CYP1A2 (0.49) TDO2MAPTENPP2CYP1A2CYP3A4
SCHEMBL9322493 0.72 MAPT (0.45) GAAMAPTTSHRALDH1A1CLK4
SCHEMBL4015933 0.72 NOTUM (0.46) TDO2MAPTENPP2TSHRALDH1A1
SCHEMBL3078778 0.72 ENPP2 (0.58) TDO2ENPP2TSHRALDH1A1MAPK1
SCHEMBL4014407 0.72 ENPP2 (0.43) TDO2GAAMAPTENPP2CYP1A2
SCHEMBL8799891 0.71 TDO2 (0.35) TDO2GAAMAPTENPP2TGFBR1

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 TDO2 1336/4885GAA 2120/4885MAPT 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.