SCHEMBL13907487

SCHEMBL13907487

CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(OCCCC(=O)NO)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.79
HDAC4 P56524 4/20 0.79
HDAC1 Q13547 4/20 0.79
HDAC7 Q8WUI4 4/20 0.79
HDAC2 Q92769 4/20 0.79
HDAC10 Q969S8 4/20 0.79
HDAC11 Q96DB2 4/20 0.79
HDAC8 Q9BY41 4/20 0.79
HDAC6 Q9UBN7 4/20 0.79
HDAC9 Q9UKV0 4/20 0.79
HDAC5 Q9UQL6 4/20 0.79
HSP90AA1 P07900 16/20 0.66
HSP90AB1 P08238 13/20 0.66
PDK1 Q15118 1/20 0.60
HSP90B1 P14625 1/20 0.59
TRAP1 Q12931 1/20 0.59

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
SCHEMBL13907480 0.98 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13907537 0.97 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13907500 0.97 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4249723 0.88 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13907535 0.87 HSP90AA1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13907539 0.86 HSP90AA1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3960023 0.86 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13907469 0.85 HSP90AA1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13907540 0.85 HSP90AA1 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13907538 0.85 HSP90AA1 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009036012-A1 HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20090076006-A1 HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-03-19 US disclosed
US-20090076006-A1 HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-03-19 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-20090076006-A1 HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY HSP90AB1, HSP90AB2P, HSP90B1 HDAC3 47/4885HDAC4 26/4885HDAC1 16/4885

“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.