SCHEMBL1004000

SCHEMBL1004000

COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
MMP1 P03956 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
XDH P47989 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.33
CYP26A1 O43174 1/20 0.33
CYP24A1 Q07973 1/20 0.33

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
SCHEMBL12844881 0.89 MAPT (0.38) ALDH1A1KMT2AMAPTESR1ESR2
SCHEMBL1004655 0.88 NPC1 (0.37) SMN1; SMN2SLC6A3KMT2AMAPTESR1
SCHEMBL1004177 0.88 MAPT (0.38) ALDH1A1SLC6A3LMNAMAPTESR1
SCHEMBL1004824 0.88 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAXDHMEN1
SCHEMBL1005383 0.88 MMP1 (0.41) KMT2AMAPTESR1ESR2MMP1
SCHEMBL1004866 0.86 CYP26A1 (0.42) SMN1; SMN2ALDH1A1SLC6A3KMT2ALMNA
SCHEMBL1007332 0.86 PTGS1 (0.37) SMN1; SMN2ALDH1A1HTTKMT2AMAPT
SCHEMBL1003668 0.85 ESR1 (0.38) ESR1ESR2MMP1CYP26A1
SCHEMBL1003747 0.85 CA1 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL1004248 0.85 NPC1 (0.35) SMN1; SMN2ALDH1A1HTTKMT2ALMNA

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 SMN1; SMN2 903/4885ALDH1A1 465/4885HTT 1992/4885

“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.