SCHEMBL5225051

SCHEMBL5225051

Nc1ccccc1NC(=O)c1cnc(N2CCNCC2)cn1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.77
HDAC2 Q92769 13/20 0.77
HDAC1 Q13547 9/20 0.69
KCNH2 Q12809 5/20 0.64

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
Hydrochloric Acid SCHEMBL5226156 0.99 HDAC3 (0.76) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20181690 0.87 HDAC2 (1.00) HDAC3HDAC2HDAC1KCNH2
SCHEMBL22119667 0.84 HDAC3 (0.62) HDAC3HDAC2HDAC1KCNH2
SCHEMBL29415824 0.84 HDAC3 (0.62) HDAC3HDAC2HDAC1KCNH2
SCHEMBL5225255 0.84 KCNH2 (0.76) HDAC3HDAC2HDAC1KCNH2
SCHEMBL5224342 0.82 HDAC1 (0.70) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20181680 0.82 HDAC3 (1.00) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20181513 0.82 HDAC2 (1.00) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20181700 0.81 HDAC2 (1.00) HDAC3HDAC2HDAC1KCNH2
SCHEMBL20181502 0.81 HDAC3 (1.00) HDAC3HDAC2HDAC1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501508-B1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2007-02-21 EP disclosed
US-20050222410-A1 Inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-10-06 US disclosed
CN-1662236-A Inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-08-31 CN disclosed
EP-1501508-A1 INHIBITORS OF HISTONE DEACETYLASE Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2003092686-A1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2003-11-13 WO 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-20050222410-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HDAC3 2/4885HDAC2 4/4885HDAC1 1/4885

“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.