SCHEMBL1003729

SCHEMBL1003729

CCOC(=O)c1cc2c([nH]1)C(CCc1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 2/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL1002876 0.93 BCHE (0.42) ATMALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL1005338 0.88 RAB9A (0.44) ATMALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL12777447 0.84 DAO (0.40) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL1005498 0.84 DAO (0.40) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL2074481 0.82 CYP26A1 (0.47) ATMALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL1007442 0.77 DAO (0.39)
SCHEMBL1004646 0.77 HCAR2 (0.42)
SCHEMBL1005108 0.76 HRH3 (0.43) ATMALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL1003271 0.75 ALDH1A1 (0.45) ATMALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2077310 0.73 HCAR2 (0.49) ALDH1A1SMN1; SMN2LMNA

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 ATM 257/4885ALDH1A1 465/4885SMN1; SMN2 903/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ATM 257/4885ALDH1A1 465/4885SMN1; SMN2 903/4885

“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.