SCHEMBL12847465

SCHEMBL12847465

Cc1nc(Nc2cccc(C(=O)Nc3cccnc3N)c2)sc1-c1c(C)nc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.45
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
KLF5 Q13887 1/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NR2F2 P24468 1/20 0.43
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
HDAC3 O15379 1/20 0.41
ABL1 P00519 1/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL12847464 0.88 HDAC1 (0.51) HDAC1CACNA1BAPBA1KLF5MAPT
SCHEMBL13984933 0.88 HDAC1 (0.42) HDAC1MAPTKDM4EALDH1A1LMNA
SCHEMBL13969934 0.87 GAA (0.61) HDAC1CACNA1BAPBA1KLF5MAPT
SCHEMBL13985102 0.84 MAPT (0.52) CACNA1BAPBA1KLF5MAPTGAA
SCHEMBL12790544 0.82 HDAC1 (0.55) HDAC1MAPTGAAKDM4EALDH1A1
SCHEMBL13984935 0.81 HDAC1 (0.47) HDAC1MAPTKDM4EALDH1A1LMNA
SCHEMBL13970137 0.81 HDAC1 (0.55) HDAC1CACNA1BAPBA1KLF5MAPT
SCHEMBL13970134 0.80 HDAC1 (0.42) HDAC1MAPTKDM4EALDH1A1LMNA
SCHEMBL3675364 0.78 MAPT (0.65) HDAC1CACNA1BAPBA1KLF5MAPT
SCHEMBL13985019 0.78 CACNA1B (0.55) CACNA1BAPBA1KLF5MAPTGAA

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 1/4885CACNA1B 4607/4885APBA1 3209/4885

“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.