SCHEMBL3133598

SCHEMBL3133598

Brc1cccc(CC(Cc2cccc(Br)c2)Cc2cccc(Br)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
MAOB P27338 3/20 0.48
SIGMAR1 Q99720 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
HCAR2 Q8TDS4 1/20 0.42
PYCR1 P32322 1/20 0.42

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
SCHEMBL5857076 0.87 TAAR1 (0.47) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL3416256 0.82 TAAR1 (0.50) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL30138659 0.82 SIGMAR1 (0.53) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL1732196 0.82 TAAR1 (0.50) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL1513595 0.82 SIGMAR1 (0.53) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL18498768 0.82 TAAR1 (0.50) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL30174362 0.80 PNMT (0.60) TAAR1IDO1AGXTSIGMAR1
SCHEMBL30457687 0.80 PNMT (0.60) TAAR1IDO1AGXTSIGMAR1
SCHEMBL21583913 0.80 PNMT (0.60) TAAR1IDO1AGXTSIGMAR1
SCHEMBL7473544 0.80 PNMT (0.60) TAAR1IDO1AGXTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825249-B2 Metal complexes MERCK PATENT GMBH (DE) 2010-11-02 US disclosed
EP-1749014-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-07-07 EP disclosed
US-20070249834-A1 Metal Complexes MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2007-10-25 US disclosed
EP-1749014-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2007-02-07 EP disclosed
WO-2005113563-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2005-12-01 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-20070249834-A1 Metal Complexes SOD1, AP1M1, AP2A1 TAAR1 1250/4885IDO1 1328/4885AGXT 3099/4885

“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.