SCHEMBL3734629

SCHEMBL3734629

CC(=O)NCCCCCC(=O)Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.71
HDAC1 Q13547 19/20 0.71
HDAC11 Q96DB2 19/20 0.71
HDAC8 Q9BY41 19/20 0.71
HDAC6 Q9UBN7 19/20 0.71
HDAC5 Q9UQL6 19/20 0.71
HDAC3 O15379 18/20 0.71
HDAC2 Q92769 18/20 0.71
HDAC10 Q969S8 18/20 0.71
HDAC7 Q8WUI4 18/20 0.71
HDAC9 Q9UKV0 18/20 0.71
KDM4E B2RXH2 1/20 0.64
BRD4 O60885 1/20 0.64
NCOR1 O75376 1/20 0.64
NR1I2 O75469 1/20 0.64
EGFR P00533 1/20 0.64
CYP3A4 P08684 1/20 0.64
LTA4H P09960 1/20 0.64
NR0B1 P51843 1/20 0.64
PLK1 P53350 1/20 0.64

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
SCHEMBL31203399 0.88 HDAC4 (0.68) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL31203459 0.88 HDAC4 (0.68) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL5279007 0.87 HDAC6 (0.75) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL9222067 0.87 SMN1; SMN2 (0.59) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL3731214 0.86 HDAC1 (0.74) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL31203302 0.86 HDAC4 (0.67) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL38652239 0.85 HDAC1 (0.62) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL6669511 0.85 HDAC4 (0.85) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL137348 0.85 HDAC4 (0.85) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL1065393 0.85 HDAC4 (0.85) HDAC4HDAC1HDAC11HDAC8HDAC6

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-20100278730-A1 Non-Invasive Molecular Imaging of Cellular Histone Deacetylase Substrate Using Magnetic Resonance Spectroscopy (MRS) or Positron Emission Tomography (PET) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-11-04 US claimed
WO-2009009179-A2 NON-INVASIVE MOLECULAR IMAGING OF CELLULAR HISTONE DEACETYLASE SUBSTRATE USING MAGNETIC RESONANCE SPECTROSCOPY (MRS) OR POSITRON EMISSION TOMOGRAPHY (PET) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-01-15 WO claimed
US-20100278730-A1 Non-Invasive Molecular Imaging of Cellular Histone Deacetylase Substrate Using Magnetic Resonance Spectroscopy (MRS) or Positron Emission Tomography (PET) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-11-04 US disclosed
WO-2009009179-A2 NON-INVASIVE MOLECULAR IMAGING OF CELLULAR HISTONE DEACETYLASE SUBSTRATE USING MAGNETIC RESONANCE SPECTROSCOPY (MRS) OR POSITRON EMISSION TOMOGRAPHY (PET) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-01-15 WO 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-20100278730-A1 Non-Invasive Molecular Imaging of Cellular Histone Deacetylase Substrate Using Magnetic Resonance Spectroscopy (MRS) or Positron Emission Tomography (PET) HDAC1, HDAC3, HDAC10 HDAC4 8/4885HDAC1 1/4885HDAC11 4/4885

“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.