SCHEMBL8337680

SCHEMBL8337680

O=C(CCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1)NO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.71
▸ HDAC2 Q92769 12/20 0.71
▸ HDAC11 Q96DB2 10/20 0.71
▸ HDAC8 Q9BY41 10/20 0.71
▸ HDAC6 Q9UBN7 10/20 0.71
▸ HDAC3 O15379 9/20 0.71
▸ HDAC10 Q969S8 9/20 0.71
▸ HDAC4 P56524 8/20 0.71
▸ NCOR2 Q9Y618 6/20 0.71
▸ HDAC7 Q8WUI4 6/20 0.71
▸ HDAC9 Q9UKV0 6/20 0.71
▸ HDAC5 Q9UQL6 6/20 0.71
▸ MEF2D Q14814 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.58
▸ BRD4 O60885 1/20 0.58
▸ NCOR1 O75376 1/20 0.58
▸ NR1I2 O75469 1/20 0.58
▸ EGFR P00533 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ LTA4H P09960 1/20 0.58

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
SCHEMBL14254985 1.00 HDAC1 (0.71) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL14254994 0.89 HDAC4 (0.66) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL8363260 0.89 HDAC4 (0.66) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL14254988 0.89 HDAC1 (0.61) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL14254913 0.89 HDAC1 (0.61) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL8271583 0.88 HDAC2 (0.68) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL28316169 0.86 HDAC1 (0.59) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL5130136 0.86 HDAC1 (0.59) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL8269739 0.85 HDAC2 (0.65) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL14254912 0.84 HDAC1 (0.57) HDAC1HDAC2HDAC11HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443928-B1 TREATMENT OF NEURODEGENERATIVE DISEASES AND CANCER OF THE BRAIN SLOAN KETTERING INST CANCER (US) 2011-07-27 — — EP disclosed
US-20100048608-A1 Histone Deacetylase Inhibitors for the Treatment of Ocular Neovascular or Edematous Disorders and Diseases ALCON, INC. (CH) 2010-02-25 — — US disclosed
US-7345174-B2 Cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-03-18 — — US disclosed
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 — — US disclosed
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 — — US disclosed
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2007-01-11 — — US disclosed
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2007-01-11 — — US disclosed
WO-2004043352-A2 HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF OCULAR NEOVASCULAR OR EDEMATOUS DISORDERS AND DISEASES ALCON, INC. (CH) 2004-05-27 — — WO disclosed
WO-2003032921-A2 TREATMENT OF NEURODEGENERATIVE DISEASES AND CANCER OF THE BRAIN SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2003-04-24 — — 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 (3 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-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC1 3/4885HDAC2 13/4885HDAC11 10/4885
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 HDAC1 3/4885HDAC2 13/4885HDAC11 10/4885
US-20100048608-A1 Histone Deacetylase Inhibitors for the Treatment of Ocular Neovascular or Edematous Disorders and Diseases HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC2 8/4885HDAC11 7/4885

“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