SCHEMBL1004349

SCHEMBL1004349

O=C(O)c1cc2c([nH]1)CCC2c1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.37
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
RHEB Q15382 1/20 0.35
KDM1A O60341 3/20 0.35
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL1004558 0.85 ATM (0.36) KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL2075617 0.84 F7 (0.40) RHEBKDM1AALOX15NFKB1BLM
SCHEMBL1003740 0.83 KDM4E (0.38) HCAR2NFKB1SMN1; SMN2
SCHEMBL1004511 0.82 NFKB1 (0.38) HCAR2ALOX15NFKB1BLMSMN1; SMN2
SCHEMBL1007331 0.81 PIN1 (0.40) KDM1AALOX15NFKB1BLMSMN1; SMN2
SCHEMBL1005502 0.81 TP53 (0.39) ABCB1ABCG2BLMSLC6A3
SCHEMBL1003507 0.80 PDGFRA (0.40) HCAR2RHEBALOX15NFKB1BLM
SCHEMBL1004534 0.80 ABCB1 (0.36) HCAR2IDO1TDO2RHEBKDM1A
SCHEMBL2075976 0.78 MEN1 (0.39) KDM1A
SCHEMBL1003069 0.77 PDGFRA (0.38) HCAR2ALOX15

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 HCAR2 2765/4885IDO1 694/4885TDO2 99/4885

“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.