SCHEMBL4486547

SCHEMBL4486547

COC(=O)CNC(=O)c1ccc(C(=O)Nc2ccccc2N)cn1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
AHR P35869 1/20 0.58
KMT2A Q03164 1/20 0.58
HDAC1 Q13547 14/20 0.53
HDAC3 O15379 7/20 0.52
HDAC2 Q92769 5/20 0.52
HDAC8 Q9BY41 5/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
P4HTM Q9NXG6 4/20 0.52
NCOR2 Q9Y618 1/20 0.48

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
SCHEMBL4469281 0.97 MEN1 (0.56) MEN1AHRKMT2AHDAC1HDAC3
SCHEMBL6382366 0.86 MEN1 (0.58) MEN1AHRKMT2AHDAC1HDAC3
SCHEMBL1063809 0.85 HDAC1 (0.65) MEN1AHRKMT2AHDAC1HDAC3
SCHEMBL4496838 0.83 MEN1 (0.52) MEN1AHRKMT2AHDAC1HDAC3
SCHEMBL6383663 0.83 MEN1 (0.53) MEN1AHRKMT2AHDAC1HDAC3
SCHEMBL6382408 0.83 MEN1 (0.56) MEN1AHRKMT2AHDAC1HDAC3
SCHEMBL6383871 0.81 HDAC1 (0.53) MEN1AHRKMT2AHDAC1HDAC3
SCHEMBL6384740 0.81 HDAC1 (0.54) MEN1AHRKMT2AHDAC1HDAC3
SCHEMBL6384986 0.81 PTGS1 (0.52) MEN1AHRKMT2AHDAC1HDAC3
SCHEMBL14885264 0.80 HDAC1 (0.58) MEN1AHRKMT2AHDAC1HDAC3

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
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
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 MEN1 1320/4885AHR 332/4885KMT2A 24/4885
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC11, HDAC10 MEN1 1210/4885AHR 231/4885KMT2A 33/4885

“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.