SCHEMBL5228516

SCHEMBL5228516

Nc1ccccc1NC(=O)c1cnc(N2CCN(CCOc3ccccc3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.53
BRD4 O60885 1/20 0.53
JAK1 P23458 1/20 0.53
HDAC3 O15379 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
KCNA5 P22460 3/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
KDM1A O60341 1/20 0.46
PTPN11 Q06124 1/20 0.45
CYP2C9 P11712 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
SCHEMBL8157053 0.80 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL5226783 0.77 HDAC1 (0.59) HDAC1HDAC3HDAC2
SCHEMBL8240888 0.72 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL1662906 0.72 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2410017 0.72 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC8CYP2C9
SCHEMBL2410014 0.72 HDAC1 (0.46) HDAC1HDAC3HDAC2HDAC8CYP2C9
SCHEMBL3620537 0.72 HDAC1 (0.64) HDAC1BRD4JAK1HDAC3HDAC2
SCHEMBL5224592 0.71 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL17529213 0.71 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3618205 0.71 HDAC1 (0.69) HDAC1BRD4JAK1

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 4 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
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 HDAC1 1/4885BRD4 23/4885JAK1 2270/4885

“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.