SCHEMBL3082990

SCHEMBL3082990

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.50
HDAC2 Q92769 6/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 1/20 0.47
MEF2D Q14814 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL3082988 1.00 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL3094223 0.89 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL3094238 0.89 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL3099081 0.88 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL3099068 0.88 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL3098538 0.87 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL3098530 0.87 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL3093960 0.85 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL3093968 0.85 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC4MEF2D
SCHEMBL3101688 0.84 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4MEF2D

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 2 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-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 815/4885HDAC2 973/4885HDAC3 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.