SCHEMBL1005384

SCHEMBL1005384

O=C(O)c1cc2c([nH]1)CCC2Cc1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PDPK1 O15530 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HCAR2 Q8TDS4 3/20 0.38
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
P2RX7 Q99572 3/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL1003918 0.88 ALDH1A1 (0.37) ALDH1A1TDP1KDM4EPDPK1LMNA
SCHEMBL1005435 0.86 ALPL (0.40) ALDH1A1TDP1LTB4RLTB4R2P2RX7
SCHEMBL1007006 0.85 ESR1 (0.38) ALDH1A1TDP1KDM4EPDPK1LMNA
SCHEMBL1003672 0.82 HCAR2 (0.40) ALDH1A1TDP1KDM4EPDPK1LMNA
SCHEMBL1004613 0.81 KDM5A (0.37) ALDH1A1TSHRHCAR2SIGMAR1L3MBTL1
SCHEMBL12777445 0.78 DDB1 (0.44) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL1003853 0.78 DDB1 (0.44) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL1004610 0.78 GRM2 (0.39)
SCHEMBL2075867 0.76 FAAH (0.36) ALDH1A1TDP1KDM4EPDPK1LMNA
SCHEMBL1058406 0.76 ALPL (0.34) ALDH1A1TDP1LMNASLC6A4SLC6A3

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 ALDH1A1 465/4885TDP1 358/4885KDM4E 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.