SCHEMBL4483901

SCHEMBL4483901

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.54
HDAC3 O15379 11/20 0.54
HDAC2 Q92769 8/20 0.54
NCOR2 Q9Y618 3/20 0.54
MAPK1 P28482 1/20 0.54
PTGS1 P23219 1/20 0.53
HDAC4 P56524 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
NCOR1 O75376 1/20 0.47

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
SCHEMBL6077668 0.88 HDAC1 (0.57) HDAC1HDAC3HDAC2NCOR2HDAC4
SCHEMBL6383504 0.85 KDM4E (0.42) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL3542006 0.82 EPHX2 (0.51) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL4490584 0.80 HDAC3 (0.59) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL13162252 0.79 KDM4E (0.52) MAPK1
SCHEMBL14500184 0.77 NPC1 (0.50) HDAC1HDAC6
SCHEMBL12684742 0.77 HDAC1 (0.76) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL8401704 0.77 HDAC1 (0.89) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL5223727 0.76 PTGS1 (0.72) HDAC1HDAC3HDAC2NCOR2MAPK1
SCHEMBL3543155 0.75 CYP2D6 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 17/4885HDAC2 8/4885
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC3 12/4885HDAC2 6/4885

“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.