SCHEMBL12847464

SCHEMBL12847464

Cc1nc2ccccn2c1-c1cnc(Nc2cccc(C(=O)Nc3cccnc3N)c2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.51
PDGFRB P09619 9/20 0.51
KDR P35968 9/20 0.51
HDAC3 O15379 7/20 0.51
ABL1 P00519 7/20 0.51
HDAC4 P56524 7/20 0.51
HDAC7 Q8WUI4 7/20 0.51
HDAC2 Q92769 7/20 0.51
HDAC10 Q969S8 7/20 0.51
HDAC11 Q96DB2 7/20 0.51
HDAC8 Q9BY41 7/20 0.51
HDAC6 Q9UBN7 7/20 0.51
HDAC9 Q9UKV0 7/20 0.51
HDAC5 Q9UQL6 7/20 0.51
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
KLF5 Q13887 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL13970137 0.93 HDAC1 (0.55) HDAC1PDGFRBKDRHDAC3ABL1
SCHEMBL12847465 0.88 HDAC1 (0.45) HDAC1PDGFRBKDRHDAC3ABL1
SCHEMBL13969900 0.88 PDGFRB (0.48) HDAC1PDGFRBKDRHDAC3ABL1
SCHEMBL13969934 0.86 GAA (0.61) HDAC1CACNA1BAPBA1KLF5GAA
SCHEMBL13985098 0.85 GAA (0.51) HDAC1PDGFRBKDRHDAC3ABL1
SCHEMBL12790556 0.84 HDAC1 (0.56) HDAC1PDGFRBKDRHDAC3ABL1
SCHEMBL13984933 0.81 HDAC1 (0.42) HDAC1PDGFRBKDRHDAC3ABL1
SCHEMBL13970134 0.80 HDAC1 (0.42) HDAC1PDGFRBKDRHDAC3ABL1
SCHEMBL3675364 0.78 MAPT (0.65) HDAC1CACNA1BAPBA1KLF5GAA
SCHEMBL13985019 0.77 CACNA1B (0.55) ABL1CACNA1BAPBA1KLF5GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-03-03 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-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 HDAC1 1/4885PDGFRB 3094/4885KDR 4100/4885

“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.