SCHEMBL12373983

SCHEMBL12373983

COc1ccc(OCF)c(CN(C(C)=O)c2cccnc2Oc2ccc(I)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSPO P30536 5/20 0.49
ALB P02768 1/20 0.48
MAPK8 P45983 1/20 0.44

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
SCHEMBL12373939 1.00 TSPO (0.49) TSPOALBMAPK8
SCHEMBL12374026 0.94 TSPO (0.52) TSPOALBMAPK8
SCHEMBL12373943 0.94 TSPO (0.52) TSPOALBMAPK8
SCHEMBL12373914 0.93 TSPO (0.48) TSPO
SCHEMBL1809104 0.93 TSPO (0.48) TSPO
SCHEMBL12373937 0.93 TSPO (0.58) TSPOALBMAPK8
SCHEMBL12373989 0.93 TSPO (0.58) TSPOALBMAPK8
SCHEMBL12373921 0.92 TSPO (0.47) TSPOMAPK8
SCHEMBL12373972 0.92 TSPO (0.47) TSPOMAPK8
SCHEMBL12373940 0.92 TSPO (0.57) TSPOALB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
US-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
WO-2010015340-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-11 WO disclosed
WO-2010015387-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-11 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-20110200535-A1 DAA-PYRIDINE AS PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR DIAGNOSTIC IMAGING AND PHARMACEUTICAL TREATMENT GABRA6, GABRA4, GABRA1 TSPO 33/4885ALB 1890/4885MAPK8 3595/4885

“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.