SCHEMBL1003740

SCHEMBL1003740

O=C(O)c1cc2c([nH]1)CCC2c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
PDPK1 O15530 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
PDGFRA P16234 1/20 0.36
PRKACA P17612 1/20 0.36
KDR P35968 1/20 0.36
CDK8 P49336 1/20 0.36
CDK9 P50750 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL1004511 0.87 NFKB1 (0.38) KDM4EALDH1A1PDPK1LMNAHPGD
SCHEMBL1003641 0.86 ALDH1A1 (0.43) ALDH1A1LMNACYP2C19PKMRIPK1
SCHEMBL1005502 0.85 TP53 (0.39) KDM4ELMNAHPGDPDGFRAPRKACA
SCHEMBL2075976 0.85 MEN1 (0.39) KDM4EALDH1A1HPGDTSHRPDGFRA
SCHEMBL1004349 0.83 HCAR2 (0.37) NFKB1HCAR2SMN1; SMN2
SCHEMBL1007432 0.81 DRD2 (0.40) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL2074417 0.81 HCAR2 (0.39) KDM4EALDH1A1PDPK1LMNAHPGD
SCHEMBL1003507 0.79 PDGFRA (0.40) KDM4EALDH1A1HPGDNFKB1CYP2C19
SCHEMBL2075617 0.77 F7 (0.40) KDM4EALDH1A1LMNAHPGDNFKB1
SCHEMBL1007331 0.77 PIN1 (0.40) KDM4EALDH1A1HPGDNFKB1HSD17B10

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 8 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
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 KDM4E 1859/4885ALDH1A1 465/4885PDPK1 983/4885

“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.