SCHEMBL5226331

SCHEMBL5226331

Nc1ccccc1NC(=O)c1ccc(-c2cccnc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.65
HDAC3 O15379 13/20 0.65
HDAC2 Q92769 12/20 0.65
HDAC8 Q9BY41 10/20 0.65
HDAC6 Q9UBN7 9/20 0.65
HDAC11 Q96DB2 8/20 0.61
HDAC4 P56524 7/20 0.61
HDAC7 Q8WUI4 7/20 0.61
HDAC10 Q969S8 7/20 0.61
HDAC9 Q9UKV0 7/20 0.61
HDAC5 Q9UQL6 7/20 0.61
ABL1 P00519 6/20 0.61
PDGFRB P09619 6/20 0.61
KDR P35968 6/20 0.61
NCOR1 O75376 1/20 0.53
CYP3A4 P08684 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
ATR Q13535 1/20 0.52

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
SCHEMBL14108041 0.81 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5227360 0.80 HDAC1 (0.71) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL31734120 0.79 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL18064956 0.79 HDAC3 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5224230 0.78 NAMPT (0.48) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL213632 0.78 HDAC1 (0.78) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL212431 0.78 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5320806 0.77 MKNK1 (0.68) CYP3A4
SCHEMBL18086514 0.77 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL24629724 0.77 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC8HDAC6

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 HDAC1 1/4885HDAC3 2/4885HDAC2 4/4885

“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.