SCHEMBL3101676

SCHEMBL3101676

CC(C)NC(=O)C(Nc1ccccc1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.56
HDAC4 P56524 3/20 0.55
MEF2D Q14814 3/20 0.55
HDAC3 O15379 4/20 0.48
HDAC8 Q9BY41 1/20 0.48
EP300 Q09472 1/20 0.48
HDAC2 Q92769 4/20 0.48
NCOR2 Q9Y618 3/20 0.48
EGFR P00533 1/20 0.47

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
SCHEMBL3101688 1.00 HDAC1 (0.56) HDAC1HDAC4MEF2DHDAC3HDAC8
SCHEMBL3099458 0.94 EGFR (0.54) HDAC1HDAC4MEF2DHDAC3HDAC8
SCHEMBL3099473 0.94 EGFR (0.54) HDAC1HDAC4MEF2DHDAC3HDAC8
SCHEMBL3099557 0.90 HDAC1 (0.62) HDAC1HDAC4HDAC3HDAC8HDAC2
SCHEMBL3099541 0.90 HDAC1 (0.62) HDAC1HDAC4HDAC3HDAC8HDAC2
SCHEMBL3098908 0.88 HDAC4 (0.54) HDAC1HDAC4MEF2DHDAC3HDAC8
SCHEMBL3098895 0.88 HDAC4 (0.54) HDAC1HDAC4MEF2DHDAC3HDAC8
SCHEMBL3098538 0.88 HDAC1 (0.52) HDAC1HDAC4MEF2DHDAC3HDAC8
SCHEMBL3098530 0.88 HDAC1 (0.52) HDAC1HDAC4MEF2DHDAC3HDAC8
SCHEMBL3099065 0.86 HDAC1 (0.51) HDAC1HDAC4MEF2DHDAC3HDAC8

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-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

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.