SCHEMBL6097210

SCHEMBL6097210

COC(N)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.49
TDO2 P48775 1/20 0.49
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
MAOA P21397 1/20 0.40
GBA1 P04062 1/20 0.38
AGXT P21549 2/20 0.37
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
KRAS P01116 1/20 0.35
SOS1 Q07889 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
SCHEMBL30608097 0.79 IDO1 (0.47) IDO1TDO2ALDH1A1MAPK1AGXT
SCHEMBL511201 0.79 IDO1 (0.47) IDO1TDO2ALDH1A1MAPK1AGXT
SCHEMBL6205041 0.78 IDO1 (0.46) IDO1TDO2ALDH1A1MAPK1MBTD1
SCHEMBL3319428 0.78 IDO1 (0.46) IDO1TDO2ALDH1A1MAPK1MAOA
SCHEMBL749481 0.77 IDO1 (0.48) IDO1TDO2ALDH1A1MAPK1MAOA
SCHEMBL14014456 0.77 IDO1 (0.48) IDO1TDO2ALDH1A1MAPK1MAOA
SCHEMBL842088 0.77 IDO1 (0.48) IDO1TDO2ALDH1A1MAPK1MAOA
SCHEMBL3689883 0.77 IDO1 (0.48) IDO1TDO2ALDH1A1MAPK1MAOA
SCHEMBL5772657 0.76 IDO1 (0.52) IDO1TDO2ALDH1A1MAPK1MAOA
SCHEMBL13479641 0.76 AOC3 (0.54) IDO1TDO2ALDH1A1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078565-B2 Benzamide derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM PLC (GB) 2006-07-18 US disclosed
US-20050020584-A1 Benzamide derivatives as antagonists of orexin receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-27 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-20050020584-A1 Benzamide derivatives as antagonists of orexin receptors HCRTR2, HCRTR1, OXTR IDO1 693/4885TDO2 2220/4885ALDH1A1 1342/4885

“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.