SCHEMBL4920179

SCHEMBL4920179

O=C(CCCC1CCN(C(=O)Nc2ccc3ccccc3c2)CC1)NO

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.76
HDAC1 Q13547 12/20 0.76
HDAC6 Q9UBN7 12/20 0.76
HDAC4 P56524 11/20 0.76
HDAC7 Q8WUI4 11/20 0.76
HDAC2 Q92769 11/20 0.76
HDAC10 Q969S8 11/20 0.76
HDAC11 Q96DB2 11/20 0.76
HDAC8 Q9BY41 11/20 0.76
HDAC9 Q9UKV0 11/20 0.76
HDAC5 Q9UQL6 11/20 0.76
FAAH O00519 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL4916796 0.89 HDAC3 (0.66) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL4920553 0.86 HDAC4 (1.00) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL4925798 0.84 HDAC3 (0.87) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL4925832 0.84 HDAC1 (0.81) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL4923468 0.83 HDAC3 (0.64) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL4923884 0.83 HDAC1 (0.64) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL4927435 0.83 HDAC3 (0.76) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL4924818 0.82 HDAC1 (0.74) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL4921200 0.82 HDAC3 (0.78) HDAC3HDAC1HDAC6HDAC4HDAC7
SCHEMBL4927932 0.81 HDAC1 (0.66) HDAC3HDAC1HDAC6HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 US claimed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 EP claimed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 WO claimed
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 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-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them HDAC1, HDAC8, HDAC9 HDAC3 8/4885HDAC1 1/4885HDAC6 11/4885

“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.