SCHEMBL1004455

SCHEMBL1004455

COC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(-c2ccc(O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MIF P14174 3/20 0.38
CYP26A1 O43174 2/20 0.36
EGFR P00533 1/20 0.36
P4HB P07237 1/20 0.35
RELA Q04206 1/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
ERN1 O75460 2/20 0.34
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
NR4A2 P43354 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL1004456 1.00 HDAC2 (0.40) HDAC2HDAC8MIFCYP26A1EGFR
SCHEMBL1004044 0.93 GAA (0.38) MIFEGFRMAOBNR4A2MGAM
SCHEMBL1004042 0.93 GAA (0.38) MIFEGFRMAOBNR4A2MGAM
SCHEMBL1004921 0.89 PDCD1 (0.35) HDAC2EGFRNR4A2
SCHEMBL1004923 0.89 PDCD1 (0.35) HDAC2EGFRNR4A2
SCHEMBL1003983 0.88 KIF11 (0.37)
SCHEMBL1003985 0.88 KIF11 (0.37)
SCHEMBL1005559 0.85 NR4A2 (0.44) MIFNR4A2
SCHEMBL1005560 0.85 NR4A2 (0.44) MIFNR4A2
SCHEMBL1004479 0.84 CNR1 (0.34) MIFRELAMAOAMAOBGAA

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 3 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
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

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 HDAC2 4261/4885HDAC8 4710/4885MIF 4580/4885

“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.