SCHEMBL1003471

SCHEMBL1003471

COC(=O)c1cc2c([nH]1)CCC2CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MTNR1B P49286 4/20 0.39
XDH P47989 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PKM P14618 1/20 0.37
DVL1 O14640 1/20 0.36
DVL3 Q92997 1/20 0.36
LMNA P02545 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 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
SCHEMBL1002763 0.93 MMP2 (0.43) MMP2MEN1KMT2AGAAALDH1A1
SCHEMBL1005555 0.89 MTNR1A (0.42) ALDH1A1MTNR1B
SCHEMBL1004824 0.88 ALDH1A1 (0.41) MMP2MEN1KMT2AGAAALDH1A1
SCHEMBL1004485 0.87 DAO (0.40) ALDH1A1MTNR1B
SCHEMBL12777457 0.87 DAO (0.40) ALDH1A1MTNR1B
SCHEMBL1002764 0.85 CYP1A2 (0.38) MEN1KMT2AMTNR1BDRD2
SCHEMBL1004070 0.82 MMP2 (0.42) MMP2GAAALDH1A1MMP1MMP9
SCHEMBL1004866 0.82 CYP26A1 (0.42) MMP2MEN1KMT2AGAAALDH1A1
SCHEMBL1004812 0.81 ALDH1A1 (0.39) MMP2MEN1KMT2AGAAALDH1A1
SCHEMBL1006644 0.81 NQO2 (0.40) ALDH1A1MTNR1B

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 MMP2 1641/4885MEN1 4856/4885KMT2A 1372/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE MMP2 1641/4885MEN1 4856/4885KMT2A 1372/4885

“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.