SCHEMBL3102356

SCHEMBL3102356

COc1cccc(CNC(C(=O)NC(C)C)c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.61
HDAC4 P56524 7/20 0.60
MEF2D Q14814 7/20 0.60
EP300 Q09472 5/20 0.51
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL3102366 1.00 HDAC1 (0.61) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL3095696 0.91 HDAC1 (0.62) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL3095685 0.91 HDAC1 (0.62) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL3102694 0.91 HDAC1 (0.67) HDAC1HDAC4MEF2DHDAC3HDAC2
SCHEMBL3102680 0.91 HDAC1 (0.67) HDAC1HDAC4MEF2DHDAC3HDAC2
SCHEMBL3091585 0.90 HDAC1 (0.55) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL3091576 0.90 HDAC1 (0.55) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL8034074 0.89 HDAC4 (0.51) HDAC1HDAC4MEF2DEP300
SCHEMBL3099792 0.83 HDAC1 (0.68) HDAC1HDAC4MEF2DHDAC3HDAC2
SCHEMBL3098518 0.83 HDAC1 (0.66) HDAC1HDAC4MEF2DHDAC3HDAC2

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
EP-2238103-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-10-13 EP disclosed
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 US disclosed
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 US disclosed
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 US disclosed
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
WO-2009095324-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-06 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-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES MKI67, API5, BAD HDAC1 815/4885HDAC4 1003/4885MEF2D 923/4885

“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.