SCHEMBL7789440

SCHEMBL7789440

NCCC(=O)Nc1ccccc1N

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.79
HDAC3 O15379 15/20 0.79
HDAC2 Q92769 14/20 0.79
HDAC10 Q969S8 9/20 0.79
HDAC6 Q9UBN7 9/20 0.79
HDAC4 P56524 9/20 0.79
NCOR2 Q9Y618 7/20 0.79
HDAC7 Q8WUI4 7/20 0.79
HDAC11 Q96DB2 7/20 0.79
HDAC8 Q9BY41 7/20 0.79
HDAC9 Q9UKV0 7/20 0.79
HDAC5 Q9UQL6 7/20 0.79
MAPK1 P28482 1/20 0.56

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
SCHEMBL14261156 0.89 HDAC3 (0.87) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL8241153 0.89 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL25002523 0.88 HDAC3 (0.90) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL1937944 0.88 HDAC3 (0.90) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL25248640 0.88 HDAC3 (0.72) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL4925053 0.87 HDAC1 (0.84) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL12523223 0.87 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL11418044 0.87 HDAC3 (0.72) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL11719473 0.87 HDAC3 (0.72) HDAC1HDAC3HDAC2HDAC10HDAC6
Hydrochloric Acid SCHEMBL8957362 0.85 HDAC3 (0.70) HDAC1HDAC3HDAC2HDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211901-B2 Naphthamide derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-07-03 US disclosed
US-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2010-11-25 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-20100298358-A1 Naphthamide Derivatives As Multi-Target Protein Kinase Inhibitors and Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC5 HDAC1 1/4885HDAC3 7/4885HDAC2 2/4885

“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.