SCHEMBL5226771

SCHEMBL5226771

Nc1ccccc1NC(=O)c1ccc(-c2ccoc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 12/20 0.54
HDAC1 Q13547 16/20 0.54
HDAC3 O15379 10/20 0.51
HDAC6 Q9UBN7 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
ATR Q13535 1/20 0.49
MAPK1 P28482 1/20 0.49
NCOR2 Q9Y618 2/20 0.48
PTGS1 P23219 1/20 0.46
NCOR1 O75376 1/20 0.45
CYP3A4 P08684 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
SCHEMBL5224340 0.81 HDAC1 (0.61) HDAC2HDAC1HDAC3HDAC6HDAC11
SCHEMBL5227360 0.81 HDAC1 (0.71) HDAC2HDAC1HDAC3HDAC6HDAC11
SCHEMBL5226165 0.80 ATR (0.45) HDAC2HDAC1HDAC3ATRCYP3A4
SCHEMBL8281301 0.78 CDK8 (0.57) HDAC2HDAC1HDAC3HDAC6HDAC11
SCHEMBL1063809 0.76 HDAC1 (0.65) HDAC2HDAC1HDAC3HDAC6HDAC11
SCHEMBL1081615 0.76 HDAC1 (0.54) HDAC2HDAC1HDAC3HDAC6HDAC11
SCHEMBL1064710 0.75 HDAC1 (0.64) HDAC2HDAC1HDAC3HDAC6HDAC11
SCHEMBL1064912 0.74 MDM4 (0.70) HDAC2HDAC1HDAC3HDAC6HDAC11
SCHEMBL13888951 0.74 HDAC1 (0.65) HDAC2HDAC1HDAC3HDAC6HDAC11
SCHEMBL8235513 0.74 HDAC1 (0.61) HDAC2HDAC1HDAC3HDAC6HDAC11

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 HDAC2 4/4885HDAC1 1/4885HDAC3 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.