SCHEMBL1005518

SCHEMBL1005518

COC(=O)c1cc2c([nH]1)CCC2c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
ALPL P05186 2/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
XDH P47989 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MAPK1 P28482 1/20 0.35
ADCY5 O95622 1/20 0.34

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 0.89 KDM4E (0.42) POLBMAPTALDH1A1SLC6A2SLC6A4
SCHEMBL1004326 0.88 XDH (0.40) POLBMAPTALPLRAB9AXDH
SCHEMBL1003741 0.86 SLC6A3 (0.44) RAB9AXDHKMT2ASLC6A2SLC6A4
SCHEMBL1007331 0.85 PIN1 (0.40) MAPTALPLKMT2AMEN1ALDH1A1
SCHEMBL1004558 0.84 ATM (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL1006537 0.83 ALDH1A1 (0.40) TP53MAPTTDP1CYP1A2KMT2A
SCHEMBL1003617 0.82 CYP1A2 (0.36) ALPLXDHCYP1A2KMT2AMEN1
SCHEMBL1004546 0.81 TSHR (0.44) POLBMAPTRAB9ACYP1A2KMT2A
SCHEMBL1002919 0.81 SLC6A3 (0.44) TP53POLBTDP1KMT2AMEN1
SCHEMBL1003641 0.81 ALDH1A1 (0.43) MAPTKMT2AMEN1ALDH1A1

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 TP53 2633/4885POLB 997/4885MAPT 444/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE TP53 2633/4885POLB 997/4885MAPT 444/4885

“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.