SCHEMBL12290347

SCHEMBL12290347

CCOC(CBr)Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
SLC6A4 P31645 2/20 0.42
PPARA Q07869 7/20 0.36
PPARG P37231 6/20 0.36
FFAR1 O14842 1/20 0.36
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34

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
SCHEMBL27536785 0.85 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4PPARAPPARG
SCHEMBL12287404 0.84 PPARA (0.36) PPARAPPARGFFAR1TDP1IDO1
SCHEMBL2551854 0.83 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4PPARAPPARG
SCHEMBL2580854 0.82 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4PPARAPPARG
SCHEMBL2557410 0.82 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4PPARAPPARG
SCHEMBL14668157 0.78 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4PPARAPPARG
SCHEMBL2557004 0.76 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4PPARAPPARG
SCHEMBL13430494 0.73 PPARA (0.41) PPARAPPARGIDO1
SCHEMBL11224068 0.73 IDO1 (0.48) SLC6A2SLC6A3SLC6A4PPARAPPARG
SCHEMBL13430495 0.71 AGXT (0.40) PPARAPPARGFFAR1TDP1IDO1

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-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS SLC6A2 3041/4885SLC6A3 2847/4885SLC6A4 2620/4885

“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.