SCHEMBL4017940

SCHEMBL4017940

FCCOc1ccc(-c2ccc3nonc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
APP P05067 12/20 0.43
S1PR1 P21453 1/20 0.39
CYP1B1 Q16678 1/20 0.39
DRD3 P35462 1/20 0.37
PIK3CD O00329 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL4016046 0.87 DRD3 (0.44) MAPTAPPDRD3
SCHEMBL10458215 0.77 APP (0.53) MAPTAPPCYP1B1
SCHEMBL3078778 0.75 ENPP2 (0.58) PIK3CDENPP2
SCHEMBL4014920 0.74 PARP1 (0.42) MAPTAPPS1PR1CYP1B1
SCHEMBL1849483 0.73 FFAR1 (0.42) MAPTAPPCYP1B1DRD3
SCHEMBL4014916 0.72 APP (0.43) MAPTAPP
SCHEMBL4017938 0.72 APP (0.38) MAPTAPP
SCHEMBL9177743 0.71 RARA (0.43) MAPTAPPCA12CA1CA9
SCHEMBL10457449 0.71 APP (0.59) APPCA12CA1CA9
SCHEMBL8567258 0.70 APP (0.45) MAPTAPPENPP2

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 MAPT 2136/4885APP 3464/4885S1PR1 3206/4885

“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.