SCHEMBL5991382

SCHEMBL5991382

CN(CCc1cn(C)c2ccccc12)C1CCc2cc(C=CC(=O)NO)ccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.54
▸ HDAC6 Q9UBN7 15/20 0.54
▸ HDAC2 Q92769 13/20 0.54
▸ HDAC8 Q9BY41 10/20 0.54
▸ HDAC3 O15379 9/20 0.54
▸ HDAC4 P56524 9/20 0.54
▸ HDAC7 Q8WUI4 9/20 0.54
▸ HDAC9 Q9UKV0 9/20 0.54
▸ HDAC5 Q9UQL6 9/20 0.54
▸ HDAC10 Q969S8 8/20 0.54
▸ HDAC11 Q96DB2 8/20 0.54
▸ KCNH2 Q12809 4/20 0.43

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
SCHEMBL5991373 1.00 HDAC1 (0.54) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5742462 0.91 HTR7 (0.43) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5742458 0.91 HTR7 (0.43) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5991054 0.90 HDAC1 (0.52) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5991047 0.90 HDAC1 (0.52) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5991187 0.89 HDAC1 (0.51) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5991183 0.89 HDAC1 (0.51) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5994083 0.89 HDAC1 (0.51) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5994087 0.89 HDAC1 (0.51) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL5991274 0.88 HDAC1 (0.50) HDAC1HDAC6HDAC2HDAC8HDAC3

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-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-23 — — 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-20060063760-A1 Hydroxamic acids useful in the treatment of hyper-proliferative disorders MKI67, PCNA, CCNA1 HDAC1 559/4885HDAC6 475/4885HDAC2 1357/4885

“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.

Send feedback