SCHEMBL1004511

SCHEMBL1004511

O=C(O)c1cc2c([nH]1)CCC2c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
PDPK1 O15530 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 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 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
EIF4A3 P38919 1/20 0.32
PDGFRA P16234 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL1003740 0.87 KDM4E (0.38) NFKB1KDM4EALDH1A1LMNAPDPK1
SCHEMBL1003617 0.84 CYP1A2 (0.36) ALDH1A1LMNA
SCHEMBL1004670 0.83 TPMT (0.37) NFKB1ALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL1004349 0.82 HCAR2 (0.37) NFKB1HCAR2SMN1; SMN2ALOX15BLM
SCHEMBL1007331 0.79 PIN1 (0.40) NFKB1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2075617 0.79 F7 (0.40) NFKB1KDM4EALDH1A1LMNAHPGD
SCHEMBL1003507 0.78 PDGFRA (0.40) NFKB1KDM4EALDH1A1HPGDCYP2C19
SCHEMBL2075976 0.76 MEN1 (0.39) KDM4EALDH1A1HPGDTSHRPDGFRA
SCHEMBL1005502 0.76 TP53 (0.39) KDM4ELMNAHPGDBLMPDGFRA
SCHEMBL1003069 0.75 PDGFRA (0.38) KDM4EALDH1A1LMNAHPGDHSD17B10

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 NFKB1 3351/4885KDM4E 1859/4885ALDH1A1 465/4885

“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.