SCHEMBL5779679

SCHEMBL5779679

O=C(O)C1c2ccccc2Oc2c(F)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
TP53 P04637 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
CYP2C9 P11712 1/20 0.41
TSHR P16473 2/20 0.40

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
SCHEMBL5779682 1.00 ATM (0.47) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL5780653 1.00 ATM (0.47) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL8815600 0.89 PTPN7 (0.38) ATMHDAC4
SCHEMBL8817282 0.84 HTT (0.55) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL27621790 0.81 ATM (0.51) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL5779757 0.81 ATM (0.47) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL5779754 0.81 ATM (0.47) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL40617 0.81 ATM (0.68) ATMHDAC3HDAC4HDAC1HDAC7
Xanthene Carboxylic Acid SCHEMBL30011680 0.81 ATM (0.68) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL8816723 0.81 ATM (0.44) ATMHDAC3HDAC4HDAC1HDAC7

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100336813-C * azoles as mGluR1 potentiators HOFFMANN LA ROCHE (CH) 2007-09-12 CN claimed
US-7119113-B2 Oxazoles as mGluR1 enhancers HOFFMANN-LA ROCHE INC. (US) 2006-10-10 US claimed
EP-1578746-B1 OXAZOLES AS MGLUR1 ENHANCER HOFFMANN LA ROCHE (CH) 2006-06-14 EP claimed
CN-1735610-A Oxazoles as mGluR1 enhancer HOFFMANN LA ROCHE (CH) 2006-02-15 CN claimed
EP-1578746-A1 OXAZOLES AS MGLUR1 ENHANCER F. HOFFMANN-LA ROCHE AG (CH) 2005-09-28 EP claimed
WO-2004056814-A1 OXAZOLES AS MGLUR1 ENHANCER F. HOFFMANN-LA ROCHE AG (CH) 2004-07-08 WO claimed
US-20040132792-A1 Oxazoles as mGluR 1 enhancers HOFFMANN-LA ROCHE INC. 2004-07-08 US claimed
CN-100336813-C * azoles as mGluR1 potentiators HOFFMANN LA ROCHE (CH) 2007-09-12 CN disclosed
US-7119113-B2 Oxazoles as mGluR1 enhancers HOFFMANN-LA ROCHE INC. (US) 2006-10-10 US disclosed
EP-1578746-B1 OXAZOLES AS MGLUR1 ENHANCER HOFFMANN LA ROCHE (CH) 2006-06-14 EP disclosed
CN-1735610-A Oxazoles as mGluR1 enhancer HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
EP-1578746-A1 OXAZOLES AS MGLUR1 ENHANCER F. HOFFMANN-LA ROCHE AG (CH) 2005-09-28 EP disclosed
US-20040132792-A1 Oxazoles as mGluR 1 enhancers HOFFMANN-LA ROCHE INC. 2004-07-08 US disclosed
WO-2004056814-A1 OXAZOLES AS MGLUR1 ENHANCER F. HOFFMANN-LA ROCHE AG (CH) 2004-07-08 WO 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-20040132792-A1 Oxazoles as mGluR 1 enhancers GRM1, GRM2, GRIN1 ATM 3644/4885HDAC3 448/4885HDAC4 362/4885

“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.