SCHEMBL1004534

SCHEMBL1004534

O=C(O)c1cc2c([nH]1)C(c1ccc(F)c(F)c1)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
RHEB Q15382 1/20 0.36
NFKB1 P19838 2/20 0.34
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
KDM1A O60341 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PDPK1 O15530 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 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
SCHEMBL1003858 0.83 F7 (0.41) RHEBNFKB1ALOX15BLMSMN1; SMN2
SCHEMBL1003721 0.83 ALOX15 (0.39) ALOX15SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL2074417 0.83 HCAR2 (0.39) NFKB1SMN1; SMN2HCAR2SLC6A2SLC6A4
SCHEMBL2077036 0.81 PIN1 (0.41) ABCG2NFKB1ALOX15BLMSMN1; SMN2
SCHEMBL1005339 0.80 LMNA (0.42) ABCB1ABCG2BLMHCAR2SLC6A3
SCHEMBL1004349 0.80 HCAR2 (0.37) ABCB1ABCG2IDO1TDO2RHEB
SCHEMBL1004426 0.80 HCAR2 (0.43) RHEBNFKB1ALOX15BLMSMN1; SMN2
SCHEMBL2076913 0.77 MEN1 (0.42) HCAR2KDM1AKDM4EALDH1A1HPGD
SCHEMBL1004659 0.74 DRD2 (0.41) ABCB1ABCG2HCAR2
SCHEMBL1004641 0.71 ALDH1A1 (0.43) ALDH1A1LMNACYP2C19

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 7 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
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 ABCB1 4103/4885ABCG2 4166/4885IDO1 694/4885

“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.