SCHEMBL1004644

SCHEMBL1004644

COC(=O)c1cc2c([nH]1)C(Cc1cc(F)cc(Cl)c1)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.35
CCR3 P51677 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
IDE P14735 1/20 0.35
HCRTR1 O43613 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GAA P10253 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A9 P48067 1/20 0.32
GRM4 Q14833 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
CYP26A1 O43174 1/20 0.31
CYP24A1 Q07973 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 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
SCHEMBL2075803 0.90 ALOX15 (0.38) METAP2CCR3KMT2AMEN1GAA
SCHEMBL2077148 0.88 METAP2 (0.36) METAP2CCR3FAAHMGLLALDH1A1
SCHEMBL2076153 0.84 POLB (0.44) KMT2AMEN1IDEGAAPOLB
SCHEMBL1003720 0.83 KMT2A (0.33) METAP2CCR3KMT2AMEN1IDE
SCHEMBL1003759 0.76 ESR1 (0.51) GAAALDH1A1CYP26A1CYP24A1
SCHEMBL1003764 0.75 MMP1 (0.45) KMT2AMEN1HCRTR1CYP26A1CYP24A1
SCHEMBL1004115 0.75 MMP2 (0.41) KMT2AMEN1POLBALDH1A1
SCHEMBL1004646 0.74 HCAR2 (0.42)
SCHEMBL2075867 0.71 FAAH (0.36) METAP2CCR3KMT2AMEN1FAAH
SCHEMBL1005081 0.71 CNR2 (0.44)

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 METAP2 426/4885CCR3 4844/4885KMT2A 1372/4885

“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.