SCHEMBL5994514

SCHEMBL5994514

O=C(/C=C/c1ccc2c(c1)CCC2N(CCO)CCc1ccncc1)NO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.41
▸ HDAC4 P56524 5/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ HDAC8 Q9BY41 5/20 0.39
▸ HDAC3 O15379 3/20 0.39
▸ HDAC7 Q8WUI4 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC9 Q9UKV0 3/20 0.39
▸ HDAC5 Q9UQL6 3/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ KCNH2 Q12809 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEF2D Q14814 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL5994526 1.00 HDAC1 (0.41) HDAC1HDAC4HDAC6HDAC8HDAC3
SCHEMBL5995067 0.91 HDAC1 (0.48) HDAC1HDAC4HDAC6HDAC8HDAC3
SCHEMBL5995076 0.91 HDAC1 (0.48) HDAC1HDAC4HDAC6HDAC8HDAC3
SCHEMBL5992926 0.90 HDAC1 (0.47) HDAC1HDAC4HDAC6HDAC8HDAC3
SCHEMBL5992938 0.90 HDAC1 (0.47) HDAC1HDAC4HDAC6HDAC8HDAC3
SCHEMBL5992959 0.89 HDAC1 (0.41) HDAC1HDAC4HDAC6HDAC8HDAC3
SCHEMBL5993269 0.89 HDAC1 (0.44) HDAC1HDAC4HDAC6HDAC8HDAC3
SCHEMBL5992946 0.89 HDAC1 (0.41) HDAC1HDAC4HDAC6HDAC8HDAC3
SCHEMBL5993261 0.89 HDAC1 (0.44) HDAC1HDAC4HDAC6HDAC8HDAC3
SCHEMBL5994528 0.86 HDAC1 (0.43) HDAC1HDAC4HDAC6HDAC8HDAC3

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 559/4885HDAC4 341/4885HDAC6 475/4885

“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.

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