SCHEMBL3095381

SCHEMBL3095381

CC(C)NC(=O)C(NCc1cccs1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.49
HDAC3 O15379 3/20 0.49
HDAC2 Q92769 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.43
HDAC4 P56524 2/20 0.43
MEF2D Q14814 2/20 0.43
EP300 Q09472 1/20 0.43

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
SCHEMBL3095391 1.00 HDAC1 (0.49) HDAC1HDAC3HDAC2SMN1; SMN2ALDH1A1
SCHEMBL3091088 0.88 HDAC1 (0.51) HDAC1HDAC3HDAC2SMN1; SMN2ALDH1A1
SCHEMBL3091085 0.88 HDAC1 (0.51) HDAC1HDAC3HDAC2SMN1; SMN2ALDH1A1
SCHEMBL3105114 0.88 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC6RECQL
SCHEMBL3105104 0.88 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC6RECQL
SCHEMBL3094216 0.86 HDAC1 (0.59) HDAC1HDAC3HDAC2SMN1; SMN2HDAC6
SCHEMBL3094229 0.86 HDAC1 (0.59) HDAC1HDAC3HDAC2SMN1; SMN2HDAC6
SCHEMBL3082988 0.84 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC4MEF2D
SCHEMBL3082990 0.84 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC4MEF2D
SCHEMBL3098530 0.82 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC4MEF2D

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 815/4885HDAC3 1401/4885HDAC2 973/4885

“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.