SCHEMBL4895682

SCHEMBL4895682

Cc1cc(C(=O)NCCN(C)C)cnc1-c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.58
KCNH2 Q12809 3/20 0.47
HDAC3 O15379 2/20 0.46
HPGD P15428 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
MAPK14 Q16539 2/20 0.45
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL4899345 0.91 HDAC1 (0.57) HDAC1KCNH2HDAC3HPGD
SCHEMBL4898560 0.88 HDAC1 (0.59) HDAC1KCNH2HDAC3HDAC2HDAC10
SCHEMBL4899379 0.84 HDAC1 (0.69) HDAC1KCNH2
SCHEMBL4490584 0.84 HDAC3 (0.59) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL3607846 0.81 HDAC1 (0.58) HDAC1KCNH2HPGD
SCHEMBL6385726 0.81 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL4890641 0.81 HDAC1 (0.67) HDAC1KCNH2HDAC3HDAC2HDAC10
SCHEMBL6384740 0.80 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC10NCOR2
SCHEMBL3617696 0.79 HDAC1 (0.57) HDAC1KCNH2HDAC3HDAC2HDAC10
SCHEMBL4897235 0.77 HDAC1 (0.71) HDAC1KCNH2HDAC3HDAC2HDAC10

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
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 US claimed
WO-2006077387-A2 NOVEL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2006-07-27 WO claimed
US-20080119451-A1 Novel Benzamide Derivatives ASTRAZENECA AB (SE) 2008-05-22 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 (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-20080119451-A1 Novel Benzamide Derivatives HDAC1, HDAC11, HDAC2 HDAC1 1/4885KCNH2 1230/4885HDAC3 5/4885

“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.