SCHEMBL1005096

SCHEMBL1005096

COC(=O)c1cc2c([nH]1)CCC2CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
MTNR1A P48039 10/20 0.35
MTNR1B P49286 9/20 0.35
NQO2 P16083 8/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
XDH P47989 2/20 0.32
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
CNR2 P34972 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL2074449 0.84 ALOX15 (0.33)
SCHEMBL1002764 0.82 CYP1A2 (0.38) CYP1A2MTNR1AMTNR1BNQO2MEN1
SCHEMBL1002588 0.82 XDH (0.39) CYP1A2MTNR1AMTNR1BNQO2MEN1
SCHEMBL1005034 0.81 XDH (0.35) CYP1A2MEN1KMT2AXDH
SCHEMBL1003669 0.81 ALDH1A1 (0.36) CYP1A2MEN1KMT2AMAPK1
SCHEMBL1004655 0.78 NPC1 (0.37) CYP1A2MEN1KMT2AMAPK1
SCHEMBL1002831 0.78 XDH (0.38) CYP1A2MEN1KMT2AXDHCNR2
SCHEMBL1004824 0.78 ALDH1A1 (0.41) MEN1KMT2AXDHMAPK1
SCHEMBL12844881 0.77 MAPT (0.38) CYP1A2MEN1KMT2AXDH
SCHEMBL1004723 0.76 CYP1A2 (0.42) CYP1A2MEN1KMT2AXDHBAZ2B

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 CYP1A2 2041/4885MTNR1A 1639/4885MTNR1B 2016/4885

“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.