SCHEMBL1004245

SCHEMBL1004245

COC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
XDH P47989 3/20 0.47
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
EGFR P00533 1/20 0.43
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 1/20 0.36
CISD1 Q9NZ45 2/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
APP P05067 1/20 0.35
HSD17B3 P37058 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
SLC6A19 Q695T7 1/20 0.35
ALOX5 P09917 1/20 0.35
POLB P06746 1/20 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
SCHEMBL1004246 1.00 HSD11B1 (0.48) HSD11B1XDHMAOAMAOBEGFR
SCHEMBL1004244 1.00 HSD11B1 (0.48) HSD11B1XDHMAOAMAOBEGFR
SCHEMBL1002794 0.87 MAOA (0.40) XDHMAOAMAOBNPSR1PIM1
SCHEMBL1002792 0.87 MAOA (0.40) XDHMAOAMAOBNPSR1PIM1
SCHEMBL1002793 0.87 MAOA (0.40) XDHMAOAMAOBNPSR1PIM1
SCHEMBL2077297 0.86 IKBKB (0.43) MAOAMAOBNPSR1HDAC1PIM1
SCHEMBL2074329 0.86 MAPT (0.49) XDHMAOAMAOBEGFRHDAC1
SCHEMBL2074333 0.86 MAPT (0.49) XDHMAOAMAOBEGFRHDAC1
SCHEMBL2077301 0.86 IKBKB (0.43) MAOAMAOBNPSR1HDAC1PIM1
SCHEMBL2077300 0.86 IKBKB (0.43) MAOAMAOBNPSR1HDAC1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE HSD11B1 2574/4885XDH 9/4885MAOA 15/4885

“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.