SCHEMBL3554151

SCHEMBL3554151

COC(=O)c1coc(-c2cncnc2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.46
HDAC8 Q9BY41 10/20 0.46
HDAC6 Q9UBN7 10/20 0.46
ALDH1A1 P00352 1/20 0.40
ROCK2 O75116 1/20 0.38
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 0.37
DAGLA Q9Y4D2 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL3558409 0.81 HDAC1 (0.52) HDAC1HDAC8HDAC6ALDH1A1ROCK2
SCHEMBL3436258 0.80 ALDH1A1 (0.47) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL6386434 0.79 HDAC1 (0.65) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL18723081 0.79 HDAC1 (0.44) HDAC1HDAC8HDAC6ALDH1A1ROCK2
SCHEMBL21689281 0.78 HDAC1 (0.68) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL3546224 0.78 HDAC1 (0.46) HDAC1HDAC8HDAC6ALDH1A1ROCK2
SCHEMBL31482450 0.77 CSNK2A1 (0.39) HDAC1HDAC8HDAC6ALDH1A1ROCK2
SCHEMBL25002914 0.77 HDAC1 (0.74) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL17487352 0.77 HDAC1 (0.67) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL21639144 0.77 HDAC1 (0.68) HDAC1HDAC8HDAC6ALDH1A1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HDAC1 372/4885HDAC8 384/4885HDAC6 539/4885

“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.