SCHEMBL6387635

SCHEMBL6387635

CCCCCN(C)C(=O)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.48
HDAC3 O15379 13/20 0.48
HDAC8 Q9BY41 8/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
HDAC2 Q92769 9/20 0.46
HDAC10 Q969S8 5/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
NCOR1 O75376 1/20 0.44
MEN1 O00255 1/20 0.44
AHR P35869 1/20 0.44
KMT2A Q03164 1/20 0.44
P4HTM Q9NXG6 1/20 0.43

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
SCHEMBL6387515 0.97 HDAC1 (0.49) HDAC1HDAC3HDAC8CA12CA1
SCHEMBL6385514 0.93 HDAC1 (0.50) HDAC1HDAC3HDAC8CA12CA1
SCHEMBL6387415 0.89 HDAC1 (0.51) HDAC1HDAC3HDAC8CA12CA1
SCHEMBL6385635 0.87 HDAC1 (0.51) HDAC1HDAC3HDAC8CA12CA1
SCHEMBL4495461 0.83 CA12 (0.59) HDAC1HDAC3HDAC8CA12CA1
SCHEMBL6069289 0.82 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL6760892 0.82 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL6385831 0.82 HDAC1 (0.51) HDAC1HDAC3HDAC8CA12CA1
SCHEMBL6385550 0.80 HDAC1 (0.52) HDAC1HDAC3HDAC8CA12CA1
SCHEMBL6384501 0.79 HDAC1 (0.48) HDAC1HDAC3HDAC8CA12CA1

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 3 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

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-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.