SCHEMBL5993129

SCHEMBL5993129

O=C(/C=C/c1ccc2c(c1)CCC2N(CCO)CCc1ccc(N2CCNCC2)cc1)NO

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 15/20 0.45
▸ MEF2D Q14814 4/20 0.45
▸ HDAC1 Q13547 14/20 0.41
▸ HDAC3 O15379 12/20 0.41
▸ HDAC8 Q9BY41 12/20 0.41
▸ HDAC6 Q9UBN7 12/20 0.41
▸ HDAC7 Q8WUI4 11/20 0.41
▸ HDAC2 Q92769 11/20 0.41
▸ HDAC10 Q969S8 11/20 0.41
▸ HDAC11 Q96DB2 11/20 0.41
▸ HDAC9 Q9UKV0 11/20 0.41
▸ HDAC5 Q9UQL6 11/20 0.41
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 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
SCHEMBL5993138 1.00 HDAC4 (0.45) HDAC4MEF2DHDAC1HDAC3HDAC8
SCHEMBL5994130 0.93 HDAC1 (0.49) HDAC4HDAC1HDAC3HDAC8HDAC6
SCHEMBL5994149 0.93 HDAC1 (0.49) HDAC4HDAC1HDAC3HDAC8HDAC6
SCHEMBL5992352 0.92 HDAC4 (0.46) HDAC4MEF2DHDAC1HDAC3HDAC8
SCHEMBL5992344 0.92 HDAC4 (0.46) HDAC4MEF2DHDAC1HDAC3HDAC8
SCHEMBL5993261 0.86 HDAC1 (0.44) HDAC4MEF2DHDAC1HDAC3HDAC8
SCHEMBL5993269 0.86 HDAC1 (0.44) HDAC4MEF2DHDAC1HDAC3HDAC8
SCHEMBL5992946 0.86 HDAC1 (0.41) HDAC4HDAC1HDAC3HDAC8HDAC6
SCHEMBL5992959 0.86 HDAC1 (0.41) HDAC4HDAC1HDAC3HDAC8HDAC6
SCHEMBL5995076 0.86 HDAC1 (0.48) HDAC4MEF2DHDAC1HDAC3HDAC8

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 HDAC4 341/4885MEF2D 2965/4885HDAC1 559/4885

“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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