SCHEMBL3102680

SCHEMBL3102680

COc1ccc(CNC(C(=O)NC(C)C)c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.67
HDAC4 P56524 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
MEF2D Q14814 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
TRPA1 O75762 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL3102694 1.00 HDAC1 (0.67) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL3102356 0.91 HDAC1 (0.61) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL3102366 0.91 HDAC1 (0.61) HDAC1HDAC4HDAC3HDAC2HDAC8
SCHEMBL3098526 0.90 HDAC1 (0.66) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL3098518 0.90 HDAC1 (0.66) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL3102128 0.89 HDAC1 (0.60) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL3102124 0.89 HDAC1 (0.60) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL3099792 0.89 HDAC1 (0.68) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL3099800 0.89 HDAC1 (0.68) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL3099557 0.86 HDAC1 (0.62) HDAC1HDAC4HDAC3HDAC7HDAC2

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 1003/4885HDAC3 1401/4885

“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.