SCHEMBL1004165

SCHEMBL1004165

COC(=O)c1cc2c([nH]1)CCC2=Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
MAPT P10636 4/20 0.40
MAOB P27338 2/20 0.38
ALPL P05186 1/20 0.38
SLC6A3 Q01959 5/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A4 P31645 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAOA P21397 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ABL1 P00519 1/20 0.36
MIF P14174 1/20 0.36
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL1004163 1.00 EGFR (0.40) EGFRMAPTMAOBALPLSLC6A3
SCHEMBL2076160 0.88 MAOA (0.42) MAPTMAOBALPLSLC6A3SLC6A4
SCHEMBL2076158 0.88 MAOA (0.42) MAPTMAOBALPLSLC6A3SLC6A4
SCHEMBL2076165 0.88 MAOA (0.42) MAPTMAOBALPLSLC6A3SLC6A4
SCHEMBL1081767 0.88 HSD11B1 (0.42) EGFRMAPTMAOBALPLSLC6A3
SCHEMBL1081766 0.88 HSD11B1 (0.42) EGFRMAPTMAOBALPLSLC6A3
SCHEMBL2074468 0.88 ALPL (0.38) MAPTMAOBALPLHTTMEN1
SCHEMBL2074466 0.88 ALPL (0.38) MAPTMAOBALPLHTTMEN1
SCHEMBL2074470 0.88 ALPL (0.38) MAPTMAOBALPLHTTMEN1
SCHEMBL2076880 0.87 ALOX15 (0.47) MAPTALPLHTTMEN1KMT2A

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 4 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
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-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 EGFR 3591/4885MAPT 444/4885MAOB 18/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE EGFR 3591/4885MAPT 444/4885MAOB 18/4885

“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.