Sugi Predict

Sugi Predict / Compounds / SCHEMBL1002919

SCHEMBL1002919

SCHEMBL1002919

COC(=O)c1cc2c([nH]1)CCC2c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 5/20 0.44
▸ TP53 P04637 2/20 0.41
▸ SLC6A2 P23975 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ GAA P10253 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37

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
SCHEMBL1003019 0.88 KDM4E (0.42) SLC6A3SLC6A2SLC6A4HPGDHSD17B10
SCHEMBL1005502 0.86 TP53 (0.39) SLC6A3TP53KMT2AMEN1HPGD
SCHEMBL12951917 0.86 DDB1 (0.45) SLC6A3SLC6A2KMT2AMEN1SLC6A4
SCHEMBL1004546 0.86 TSHR (0.44) SLC6A3KMT2AMEN1SLC6A4HPGD
SCHEMBL1003641 0.86 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL1004558 0.83 ATM (0.36) SLC6A3SLC6A2SLC6A4
SCHEMBL2077109 0.83 CACNA1F (0.45) SLC6A3SLC6A2KMT2ASLC6A4HSD17B10
SCHEMBL1005518 0.81 TP53 (0.40) SLC6A3TP53SLC6A2KMT2AMEN1
SCHEMBL1006816 0.81 SLC6A3 (0.44) SLC6A3TP53SLC6A2KMT2AMEN1
SCHEMBL1003741 0.81 SLC6A3 (0.44) SLC6A3SLC6A2KMT2ASLC6A4GAA

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 SLC6A3 224/4885TP53 2633/4885SLC6A2 617/4885

“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.