SCHEMBL1003672

SCHEMBL1003672

O=C(O)c1cc2c([nH]1)CCC2Cc1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
NR4A2 P43354 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDPK1 O15530 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 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
SCHEMBL12777445 0.87 DDB1 (0.44) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL1003853 0.87 DDB1 (0.44) ESR1ESR2KDM4EALDH1A1HPGD
SCHEMBL1007006 0.86 ESR1 (0.38) HCAR2ESR1ESR2KDM4EALDH1A1
SCHEMBL2074424 0.86 MMP1 (0.41) ESR1ESR2MMP1MMP2MMP9
SCHEMBL12952179 0.86 ESR1 (0.40) ESR1ESR2
SCHEMBL1005398 0.86 ALDH1A1 (0.40) ESR1ESR2MMP2MMP9MMP12
SCHEMBL1005137 0.86 ESR1 (0.42) HCAR2ESR1ESR2MMP1MMP2
SCHEMBL1006812 0.86 ESR1 (0.40) HCAR2ESR1ESR2MMP1MMP2
SCHEMBL2077165 0.86 MMP1 (0.41) ESR1ESR2MMP1MMP2MMP9
SCHEMBL2077304 0.85 ESR1 (0.39) HCAR2ESR1ESR2

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 HCAR2 2765/4885ESR1 3231/4885ESR2 4183/4885

“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.