SCHEMBL3099065

SCHEMBL3099065

Nc1ccccc1NC(=O)/C=C/c1ccc(C(Nc2ccccc2)C(=O)NC2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.51
HDAC4 P56524 4/20 0.50
MEF2D Q14814 3/20 0.50
HDAC2 Q92769 5/20 0.48
HDAC3 O15379 4/20 0.48
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
LMNA P02545 1/20 0.44
EP300 Q09472 1/20 0.44
RARB P10826 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL3099075 1.00 HDAC1 (0.51) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3102605 0.91 HDAC1 (0.47) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3102615 0.91 HDAC1 (0.47) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3094994 0.91 HDAC1 (0.56) HDAC1HDAC4HDAC2HDAC3ALDH1A1
SCHEMBL3094984 0.91 HDAC1 (0.56) HDAC1HDAC4HDAC2HDAC3ALDH1A1
SCHEMBL3087557 0.90 HDAC4 (0.49) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3087563 0.90 HDAC4 (0.49) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3104794 0.90 HDAC1 (0.48) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3104809 0.90 HDAC1 (0.48) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3098228 0.88 HDAC1 (0.47) HDAC1HDAC4MEF2DHDAC2HDAC3

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 8 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-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
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 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.