SCHEMBL1005713

SCHEMBL1005713

CCOC(=O)c1cc2c([nH]1)C(Cc1ccc(-c3ccccc3)cc1)=CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GLA P06280 1/20 0.44
ATM Q13315 1/20 0.44
MMP2 P08253 2/20 0.42
MMP13 P45452 2/20 0.42
MMP14 P50281 2/20 0.42
HPGDS O60760 1/20 0.41
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL1004672 0.84 KDM4E (0.48) PDE3BPDE3AKDM4EMEN1ALDH1A1
SCHEMBL2077038 0.75 RAB9A (0.47) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL1005493 0.75 HRH3 (0.45) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL1004515 0.74 ALPL (0.50) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL23452374 0.72 GABRA1 (0.50) PDE3BPDE3AKDM4EMEN1ALDH1A1
SCHEMBL2074481 0.70 CYP26A1 (0.47) PDE3BPDE3AKDM4EMEN1ALDH1A1
SCHEMBL14267164 0.70 HRH3 (0.40) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL419130 0.69 MMP13 (0.77) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL6208390 0.68 KDM4E (0.47) PDE3BPDE3AKDM4EMEN1ALDH1A1
SCHEMBL1003271 0.67 ALDH1A1 (0.45) KDM4EMEN1ALDH1A1MAPTHPGD

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 PDE3B 1452/4885PDE3A 1502/4885KDM4E 1859/4885

“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.