SCHEMBL4480835

SCHEMBL4480835

CCOC(=O)CC(C)NC(=O)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.48
HDAC3 O15379 11/20 0.48
HDAC8 Q9BY41 8/20 0.48
P4HTM Q9NXG6 3/20 0.47
MEN1 O00255 1/20 0.47
AHR P35869 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC2 Q92769 8/20 0.44
HDAC6 Q9UBN7 5/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC4 P56524 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
ABL1 P00519 2/20 0.43
PDGFRB P09619 2/20 0.43
KDR P35968 2/20 0.43
NCOR1 O75376 1/20 0.42

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
SCHEMBL6383512 0.82 HDAC1 (0.49) HDAC1HDAC3HDAC8P4HTMMEN1
SCHEMBL4474592 0.82 MEN1 (0.51) HDAC1HDAC3HDAC8P4HTMMEN1
SCHEMBL6425953 0.81 HDAC1 (0.48) HDAC1HDAC3HDAC8P4HTMMEN1
SCHEMBL6382358 0.80 HDAC1 (0.52) HDAC1HDAC3HDAC8P4HTMMEN1
SCHEMBL4481733 0.79 MEN1 (0.53) HDAC1HDAC3HDAC8P4HTMMEN1
SCHEMBL4480848 0.79 P4HTM (0.40) P4HTM
SCHEMBL6384528 0.79 HDAC1 (0.48) HDAC1HDAC3HDAC8P4HTMMEN1
SCHEMBL6427350 0.78 LMNA (0.51) HDAC1HDAC3HDAC8
SCHEMBL6427990 0.78 MEN1 (0.48) HDAC1HDAC3HDAC8P4HTMMEN1
SCHEMBL1063809 0.78 HDAC1 (0.65) HDAC1HDAC3HDAC8P4HTMMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071219-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US claimed
EP-1592667-A2 NEW MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP claimed
WO-2004069803-A2 MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES AND THEIR USE AGAINST CANCER F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO claimed
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-08-19 US claimed
US-7501451-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-7071219-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
US-20060089403-A1 Mono-acylated o-phenylendiamines derivatives FERTIG GEORG 2006-04-27 US disclosed
EP-1592667-A2 NEW MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP disclosed
WO-2004069803-A2 MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES AND THEIR USE AGAINST CANCER F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-08-19 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 (2 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-20060089403-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC10, HDAC11 HDAC1 1/4885HDAC3 17/4885HDAC8 20/4885
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC3 12/4885HDAC8 18/4885

“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.