SCHEMBL1004044

SCHEMBL1004044

COC(=O)c1cc2c([nH]1)CCC2=Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
NR4A2 P43354 2/20 0.38
EGFR P00533 1/20 0.38
SLC6A3 Q01959 2/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MIF P14174 2/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35

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
SCHEMBL1004042 1.00 GAA (0.38) GAANR4A2EGFRSLC6A3MEN1
SCHEMBL1004455 0.93 HDAC2 (0.40) GAANR4A2EGFRMIFMGAM
SCHEMBL1004456 0.93 HDAC2 (0.40) GAANR4A2EGFRMIFMGAM
SCHEMBL1004921 0.90 PDCD1 (0.35) NR4A2EGFRSLC6A3MAPTPDCD1
SCHEMBL1004923 0.90 PDCD1 (0.35) NR4A2EGFRSLC6A3MAPTPDCD1
SCHEMBL1003985 0.89 KIF11 (0.37)
SCHEMBL1003983 0.89 KIF11 (0.37)
SCHEMBL1005560 0.88 NR4A2 (0.44) NR4A2MIF
SCHEMBL1005559 0.88 NR4A2 (0.44) NR4A2MIF
SCHEMBL1004479 0.86 CNR1 (0.34) GAASLC6A3MEN1MAPTKMT2A

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 GAA 309/4885NR4A2 4737/4885EGFR 3591/4885

“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.