SCHEMBL3099473

SCHEMBL3099473

CC(C)NC(=O)C(Nc1ccc(C(C)C)cc1)c1ccc(C=CC(=O)Nc2ccccc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
HDAC1 Q13547 18/20 0.50
HDAC4 P56524 1/20 0.48
MEF2D Q14814 1/20 0.48
HDAC3 O15379 3/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC2 Q92769 3/20 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
SCHEMBL3099458 1.00 EGFR (0.54) EGFRHDAC1HDAC4MEF2DHDAC3
SCHEMBL3101676 0.94 HDAC1 (0.56) EGFRHDAC1HDAC4MEF2DHDAC3
SCHEMBL3101688 0.94 HDAC1 (0.56) EGFRHDAC1HDAC4MEF2DHDAC3
SCHEMBL3099541 0.91 HDAC1 (0.62) EGFRHDAC1HDAC4HDAC3HDAC8
SCHEMBL3099557 0.91 HDAC1 (0.62) EGFRHDAC1HDAC4HDAC3HDAC8
SCHEMBL3098895 0.91 HDAC4 (0.54) HDAC1HDAC4MEF2DHDAC3HDAC8
SCHEMBL3098908 0.91 HDAC4 (0.54) HDAC1HDAC4MEF2DHDAC3HDAC8
SCHEMBL8028900 0.90 EGFR (0.56) EGFRHDAC1HDAC4MEF2DHDAC2
SCHEMBL3102644 0.87 HDAC1 (0.60) EGFRHDAC1HDAC4MEF2DHDAC3
SCHEMBL3102633 0.87 HDAC1 (0.60) EGFRHDAC1HDAC4MEF2DHDAC3

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 EGFR 652/4885HDAC1 815/4885HDAC4 1003/4885

“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.