SCHEMBL1005559

SCHEMBL1005559

COC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(-c2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.44
SLC2A1 P11166 1/20 0.43
CYP19A1 P11511 9/20 0.43
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
NEK1 Q96PY6 1/20 0.41
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
MIF P14174 1/20 0.39
CFTR P13569 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL1005560 1.00 NR4A2 (0.44) NR4A2SLC2A1CYP19A1CYP11B1CYP11B2
SCHEMBL1004044 0.88 GAA (0.38) NR4A2MIF
SCHEMBL1004042 0.88 GAA (0.38) NR4A2MIF
SCHEMBL1004455 0.85 HDAC2 (0.40) NR4A2MIF
SCHEMBL1004456 0.85 HDAC2 (0.40) NR4A2MIF
SCHEMBL1004923 0.82 PDCD1 (0.35) NR4A2
SCHEMBL1004921 0.82 PDCD1 (0.35) NR4A2
SCHEMBL1003983 0.82 KIF11 (0.37) CFTR
SCHEMBL1003985 0.82 KIF11 (0.37) CFTR
SCHEMBL1004479 0.81 CNR1 (0.34) MIF

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 NR4A2 4737/4885SLC2A1 3414/4885CYP19A1 2337/4885

“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.