SCHEMBL14896147

SCHEMBL14896147

O=C(NO)c1ccc(Cn2c3c(c4ccccc42)C(=O)NCC3)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.72
HDAC1 Q13547 18/20 0.72
HDAC10 Q969S8 9/20 0.64
HDAC8 Q9BY41 5/20 0.60
HDAC4 P56524 3/20 0.60
HDAC7 Q8WUI4 3/20 0.60
HDAC9 Q9UKV0 3/20 0.60
HDAC5 Q9UQL6 3/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC3 O15379 4/20 0.59
HDAC2 Q92769 4/20 0.59
NCOR2 Q9Y618 3/20 0.59

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
SCHEMBL14896064 0.86 HDAC1 (0.73) HDAC6HDAC1HDAC10HDAC8HDAC4
SCHEMBL14895799 0.86 BRD4 (0.55) HDAC6HDAC1
SCHEMBL14903172 0.84 BRD4 (0.55) HDAC6HDAC1
SCHEMBL588 0.84 BCHE (0.69)
SCHEMBL14894467 0.83 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC8HDAC4
SCHEMBL14994555 0.81 HDAC6 (0.69) HDAC6HDAC1HDAC10HDAC8HDAC4
SCHEMBL12951840 0.80 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC8HDAC4
SCHEMBL14894173 0.80 HDAC6 (0.68) HDAC6HDAC1HDAC10HDAC8HDAC4
SCHEMBL12938861 0.78 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC8HDAC4
SCHEMBL12951842 0.78 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC8HDAC4

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
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US claimed
EP-2771321-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF Chong Kun Dang Pharmaceutical Corp. (KR) 2014-09-03 EP claimed
WO-2013062344-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-05-02 WO claimed
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
EP-2771321-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF Chong Kun Dang Pharmaceutical Corp. (KR) 2014-09-03 EP disclosed
WO-2013062344-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-05-02 WO disclosed
WO-2013062344-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-05-02 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-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF HDAC1, HDAC5, HDAC3 HDAC6 8/4885HDAC1 1/4885HDAC10 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.