SCHEMBL4474094

SCHEMBL4474094

CC(C)N(CCNC(=O)c1ccc(C(=O)Nc2ccccc2N)cc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.56
HDAC1 Q13547 15/20 0.56
HDAC2 Q92769 10/20 0.56
NCOR2 Q9Y618 7/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
MAPK1 P28482 1/20 0.55
HDAC8 Q9BY41 3/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
PTGS1 P23219 1/20 0.51

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
SCHEMBL6383937 0.88 HDAC1 (0.48) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL6076300 0.88 HDAC1 (0.58) HDAC3HDAC1HDAC2NCOR2HDAC8
SCHEMBL6385520 0.87 MEN1 (0.48) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL4490584 0.86 HDAC3 (0.59) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL28562969 0.81 ALDH1A1 (0.56)
SCHEMBL4473775 0.79 HDAC3 (0.64) HDAC3HDAC1HDAC2NCOR2MAPK1
SCHEMBL4492590 0.79 HDAC3 (0.57) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL6069080 0.78 ALDH1A1 (0.51) HDAC1CA12CA9MAPK1HDAC8
SCHEMBL1512850 0.78 ALDH1A1 (0.51) HDAC1MAPK1HDAC8HDAC6
SCHEMBL4493067 0.78 HDAC3 (0.57) HDAC3HDAC1HDAC2NCOR2CA12

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