SCHEMBL1005137

SCHEMBL1005137

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
EPHX2 P34913 1/20 0.38
CNR2 P34972 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
GLA P06280 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CTBP2 P56545 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 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
SCHEMBL12777445 0.87 DDB1 (0.44) ESR1ESR2ALDH1A1
SCHEMBL1003853 0.87 DDB1 (0.44) ESR1ESR2ALDH1A1
SCHEMBL1004540 0.86 ESR1 (0.41) ESR1ESR2MEN1LMNAKMT2A
SCHEMBL1005522 0.86 POLB (0.42) ESR1ESR2MMP1MMP2MMP9
SCHEMBL2077165 0.86 MMP1 (0.41) ESR1ESR2MMP1MMP2MMP9
SCHEMBL1006812 0.86 ESR1 (0.40) ESR1ESR2MMP1MMP2MMP9
SCHEMBL12952179 0.86 ESR1 (0.40) ESR1ESR2
SCHEMBL1005398 0.86 ALDH1A1 (0.40) ESR1ESR2MMP2MMP9MMP12
SCHEMBL1003672 0.86 HCAR2 (0.40) ESR1ESR2MMP1MMP2MMP9
SCHEMBL2077304 0.85 ESR1 (0.39) ESR1ESR2HCAR2

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 ESR1 3231/4885ESR2 4183/4885MMP1 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.