SCHEMBL1068653

SCHEMBL1068653

O=C(O)C=Cc1ccc(CNc2cccc(Cl)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
MAOB P27338 5/20 0.54
MAOA P21397 4/20 0.54
MMP1 P03956 3/20 0.54
MMP2 P08253 3/20 0.54
MMP9 P14780 3/20 0.54
EGFR P00533 1/20 0.54
HDAC4 P56524 9/20 0.53
MEF2D Q14814 9/20 0.53
HDAC1 Q13547 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL1068652 1.00 FFAR1 (0.55) FFAR1MAOBMAOAMMP1MMP2
SCHEMBL8234976 0.88 HDAC4 (0.65) MAOBMAOAMMP1MMP2MMP9
SCHEMBL24046635 0.81 HDAC4 (0.69) FFAR1HDAC4MEF2D
SCHEMBL8347856 0.80 HDAC1 (0.78) HDAC4MEF2DHDAC1
SCHEMBL1064731 0.80 HDAC1 (0.78) HDAC4MEF2DHDAC1
SCHEMBL1064730 0.80 HDAC1 (0.78) HDAC4MEF2DHDAC1
SCHEMBL11462379 0.80 HDAC4 (0.57) FFAR1HDAC4MEF2DL3MBTL1
SCHEMBL11462380 0.80 HDAC4 (0.57) FFAR1HDAC4MEF2DL3MBTL1
SCHEMBL6840198 0.79 PPARA (0.60) FFAR1L3MBTL1MEN1GAAKMT2A
N-Benzylaniline SCHEMBL28648928 0.79 HDAC4 (0.70) FFAR1MAOBMAOAMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 FFAR1 4255/4885MAOB 2499/4885MAOA 1961/4885

“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.