SCHEMBL3268801

SCHEMBL3268801

COc1ncccc1CN(C(=O)CI)c1cccnc1Oc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSPO P30536 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
OPRK1 P41145 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK8 P45983 2/20 0.41

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
SCHEMBL2757569 0.89 TSPO (0.58) TSPOTDP1
SCHEMBL2757571 0.82 TSPO (0.68) TSPOOPRK1
SCHEMBL13161221 0.81 TSPO (0.54) TSPOOPRK1
SCHEMBL242089 0.81 TSPO (0.67) TSPO
SCHEMBL13161743 0.79 MAPK8 (0.47) TDP1ALDH1A1MAPK8
SCHEMBL241624 0.79 TSPO (0.65) TSPOOPRK1
SCHEMBL242861 0.77 TSPO (0.49) TSPOTDP1OPRK1ALDH1A1
SCHEMBL13161737 0.77 TSPO (0.57) TSPOTDP1OPRK1MAPK8
SCHEMBL2757568 0.77 MAPK8 (0.47) TSPOTDP1ALDH1A1MAPK8
SCHEMBL2757570 0.77 TSPO (0.69) TSPOOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-05 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-20120003154-A1 ARYLOXYANILIDE DERIVATIVES GABBR1, GABRA4, CNR1 TSPO 43/4885TDP1 2766/4885OPRK1 57/4885

“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.