SCHEMBL1003617

SCHEMBL1003617

COC(=O)c1cc2c([nH]1)CCC2c1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.32
ALPL P05186 2/20 0.32
XDH P47989 1/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR6 P50406 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
BAZ2A Q9UIF9 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
SCHEMBL1003641 0.89 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNAHTR6
SCHEMBL1004326 0.86 XDH (0.40) CYP1A2ALDH1A1MEN1KMT2ALMNA
SCHEMBL1004558 0.84 ATM (0.36) SLC6A4SLC6A3
SCHEMBL1004511 0.84 NFKB1 (0.38) ALDH1A1LMNA
SCHEMBL1005518 0.82 TP53 (0.40) CYP1A2ALDH1A1MEN1KMT2AALPL
SCHEMBL1003019 0.81 KDM4E (0.42) ALDH1A1LMNASLC6A4SLC6A3
SCHEMBL1004546 0.79 TSHR (0.44) CYP1A2ALDH1A1MEN1KMT2ALMNA
SCHEMBL1002919 0.79 SLC6A3 (0.44) ALDH1A1MEN1KMT2ALMNASLC6A4
SCHEMBL12951917 0.79 DDB1 (0.45) CYP1A2ALDH1A1MEN1KMT2ASLC6A4
SCHEMBL1003741 0.79 SLC6A3 (0.44) KMT2ALMNAXDHSLC6A4SLC6A3

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 2041/4885ALDH1A1 465/4885MEN1 4856/4885

“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.