SCHEMBL3098513

SCHEMBL3098513

Nc1ccccc1NC(=O)C=Cc1ccc(C(NCC2CCCCC2)C(=O)NCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.53
HDAC4 P56524 7/20 0.53
HDAC2 Q92769 6/20 0.53
HDAC3 O15379 6/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC5 Q9UQL6 4/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
EP300 Q09472 3/20 0.46
MEF2D Q14814 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL3098506 1.00 HDAC1 (0.53) HDAC1HDAC4HDAC2HDAC3HDAC8
SCHEMBL3093968 0.88 HDAC1 (0.53) HDAC1HDAC4HDAC2HDAC3HDAC8
SCHEMBL3091511 0.88 HDAC1 (0.55) HDAC1HDAC4HDAC2HDAC3HDAC8
SCHEMBL3091527 0.88 HDAC1 (0.55) HDAC1HDAC4HDAC2HDAC3HDAC8
SCHEMBL3093960 0.88 HDAC1 (0.53) HDAC1HDAC4HDAC2HDAC3HDAC8
SCHEMBL3099815 0.87 HDAC1 (0.61) HDAC1HDAC4HDAC2HDAC3KDM1A
SCHEMBL3099825 0.87 HDAC1 (0.61) HDAC1HDAC4HDAC2HDAC3KDM1A
SCHEMBL3098452 0.87 HDAC1 (0.53) HDAC1HDAC4HDAC2HDAC3HDAC8
SCHEMBL3098464 0.87 HDAC1 (0.53) HDAC1HDAC4HDAC2HDAC3HDAC8
SCHEMBL3095624 0.86 HDAC1 (0.57) HDAC1HDAC4HDAC2HDAC3HDAC8

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 HDAC1 815/4885HDAC4 1003/4885HDAC2 973/4885

“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.