SCHEMBL3105046

SCHEMBL3105046

COc1ccc(NC(=O)C(Nc2ccc3ncccc3c2)c2ccc(C=CC(=O)Nc3ccccc3N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.54
MEF2D Q14814 2/20 0.54
EP300 Q09472 1/20 0.54
HDAC1 Q13547 12/20 0.53
HDAC3 O15379 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP3A4 P08684 1/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3105028 1.00 HDAC4 (0.54) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3099400 0.93 HDAC4 (0.54) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3099408 0.93 HDAC4 (0.54) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3087771 0.92 HDAC4 (0.57) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL8029197 0.92 HDAC4 (0.57) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3098720 0.88 HDAC4 (0.58) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3098713 0.88 HDAC4 (0.58) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3095720 0.87 HDAC1 (0.64) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL3095711 0.87 HDAC1 (0.64) HDAC4MEF2DHDAC1HDAC3HDAC7
SCHEMBL8029211 0.86 HDAC4 (0.53) HDAC4MEF2DEP300HDAC1HDAC3

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 4 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-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 HDAC4 1003/4885MEF2D 923/4885EP300 1121/4885

“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.