SCHEMBL1004076

SCHEMBL1004076

COC(=O)c1cc2c([nH]1)CC(Cc1ccccc1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.43
ALDH1A1 P00352 2/20 0.40
MMP2 P08253 1/20 0.40
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 3/20 0.38
MAOB P27338 1/20 0.38
XDH P47989 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL1004824 0.77 ALDH1A1 (0.41) ALDH1A1MMP2LMNAKMT2AXDH
SCHEMBL1004567 0.77 ALDH1A1 (0.42) ALDH1A1MMP2LMNARAB9AKMT2A
SCHEMBL1004812 0.75 ALDH1A1 (0.39) ALDH1A1MMP2LMNAKMT2AXDH
SCHEMBL1003585 0.75 CYP1A2 (0.45) ACHELMNARAB9AKMT2AXDH
SCHEMBL1007352 0.73 ACHE (0.42) ACHEKMT2ACYP19A1MAOB
SCHEMBL1004866 0.71 CYP26A1 (0.42) ALDH1A1MMP2LMNAKMT2AXDH
SCHEMBL1004070 0.70 MMP2 (0.42) ALDH1A1MMP2
SCHEMBL1065113 0.69 HDAC1 (0.61) ACHECYP19A1
SCHEMBL2076156 0.69 ALDH1A1 (0.40) ALDH1A1MMP2LMNAKMT2AXDH
SCHEMBL2076155 0.69 ALDH1A1 (0.40) ALDH1A1MMP2LMNAKMT2AXDH

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 9 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
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 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 (2 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ACHE 3/4885ALDH1A1 465/4885MMP2 1641/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ACHE 3/4885ALDH1A1 465/4885MMP2 1641/4885

“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.