SCHEMBL3094223

SCHEMBL3094223

CC(C)CNC(C(=O)NC1CCCCC1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.50
HDAC2 Q92769 6/20 0.50
HDAC3 O15379 3/20 0.50
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC4 P56524 2/20 0.42
MEF2D Q14814 1/20 0.42
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL3094238 1.00 HDAC1 (0.50) HDAC1HDAC2HDAC3CYP3A4MAPT
SCHEMBL3098228 0.89 HDAC1 (0.47) HDAC1HDAC2HDAC3CYP3A4MAPT
SCHEMBL3098218 0.89 HDAC1 (0.47) HDAC1HDAC2HDAC3CYP3A4MAPT
SCHEMBL3082990 0.89 HDAC1 (0.50) HDAC1HDAC2HDAC3CYP3A4CYP2C9
SCHEMBL3082988 0.89 HDAC1 (0.50) HDAC1HDAC2HDAC3CYP3A4CYP2C9
SCHEMBL3098452 0.89 HDAC1 (0.53) HDAC1HDAC2HDAC3CYP3A4MAPT
SCHEMBL3098464 0.89 HDAC1 (0.53) HDAC1HDAC2HDAC3CYP3A4MAPT
SCHEMBL3090370 0.88 HDAC1 (0.53) HDAC1HDAC2HDAC3KDM1AMAOA
SCHEMBL3090371 0.88 HDAC1 (0.53) HDAC1HDAC2HDAC3KDM1AMAOA
SCHEMBL3105051 0.87 HDAC1 (0.52) HDAC1HDAC2HDAC3CYP3A4MAPT

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 815/4885HDAC2 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.