SCHEMBL1004824

SCHEMBL1004824

COC(=O)c1cc2c([nH]1)CCC2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MMP2 P08253 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
XDH P47989 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
PKM P14618 1/20 0.36
MITF O75030 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 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
SCHEMBL1004866 0.93 CYP26A1 (0.42) ALDH1A1MMP2XDHLMNAKMT2A
SCHEMBL1004812 0.93 ALDH1A1 (0.39) ALDH1A1MMP2DDB1CRBNXDH
SCHEMBL1004070 0.91 MMP2 (0.42) ALDH1A1MMP2GAAKDM4E
SCHEMBL12844881 0.89 MAPT (0.38) ALDH1A1MMP2XDHKMT2AMEN1
SCHEMBL1003014 0.89 MMP2 (0.39) ALDH1A1MMP2KMT2AMEN1GAA
SCHEMBL1004177 0.88 MAPT (0.38) ALDH1A1MMP2LMNAKDM4E
SCHEMBL1003471 0.88 MMP2 (0.44) ALDH1A1MMP2XDHLMNAKMT2A
SCHEMBL1004000 0.88 SMN1; SMN2 (0.36) ALDH1A1XDHLMNAKMT2AMEN1
SCHEMBL1004655 0.88 NPC1 (0.37) MMP2KMT2AMEN1NPC1MAPK1
SCHEMBL1005383 0.88 MMP1 (0.41) MMP2KMT2AMEN1GAAKDM4E

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 ALDH1A1 465/4885MMP2 1641/4885DDB1 637/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALDH1A1 465/4885MMP2 1641/4885DDB1 637/4885

“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.