SCHEMBL1005522

SCHEMBL1005522

COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
SLC6A3 Q01959 4/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
IDE P14735 1/20 0.39
EPHX2 P34913 1/20 0.38
PAX8 Q06710 1/20 0.37
SLC6A2 P23975 1/20 0.37
APEX1 P27695 1/20 0.36
P2RX7 Q99572 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1003014 0.88 MMP2 (0.39) POLBGAAMMP2MMP9MMP12
SCHEMBL1004177 0.88 MAPT (0.38) MMP1MMP2MMP9MMP12SLC6A3
SCHEMBL1004824 0.88 ALDH1A1 (0.41) GAAMMP2KMT2AMEN1KDM4E
SCHEMBL12952158 0.87 ESR1 (0.37) GAAMMP2ESR1ESR2KMT2A
SCHEMBL2074424 0.87 MMP1 (0.41) MMP1MMP2MMP9MMP12ESR1
SCHEMBL1004611 0.87 MMP1 (0.45) POLBGAAMMP1MMP2MMP9
SCHEMBL1005233 0.87 ESR1 (0.37) POLBGAAMMP2ESR1ESR2
SCHEMBL1005383 0.87 MMP1 (0.41) POLBGAAMMP1MMP2MMP9
SCHEMBL1005137 0.86 ESR1 (0.42) MMP1MMP2MMP9MMP12ESR1
SCHEMBL2076793 0.86 CDKN1A (0.45) POLBESR1ESR2

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 8 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
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
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
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
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US 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 POLB 997/4885GAA 309/4885MMP1 2976/4885

“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.