SCHEMBL14895937

SCHEMBL14895937

COC(=O)c1ccc(Cn2c3c(c4ccccc42)C(=O)CCC3)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.75
HDAC1 Q13547 11/20 0.75
HDAC10 Q969S8 3/20 0.55
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
CNR2 P34972 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
NCOR2 Q9Y618 2/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL14894213 0.86 HDAC1 (0.76) HDAC6HDAC1HDAC10PTGS1PTGS2
SCHEMBL14894467 0.86 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC3HDAC2
SCHEMBL14895799 0.84 BRD4 (0.55) HDAC6HDAC1
SCHEMBL14893963 0.83 HDAC6 (0.78) HDAC6HDAC1HDAC10PTGS1PTGS2
SCHEMBL14893720 0.83 HDAC6 (0.53) HDAC6HDAC1HDAC10CNR2HDAC3
SCHEMBL6925178 0.82 HDAC1 (0.70) HDAC6HDAC1CA1CA2PTGS1
SCHEMBL30480036 0.82 HDAC1 (0.70) HDAC6HDAC1CA1CA2PTGS1
SCHEMBL14896109 0.82 HDAC6 (0.52) HDAC6HDAC1HDAC10CNR2HDAC3
SCHEMBL7547764 0.81 HDAC1 (0.69) HDAC6HDAC1CA1CA2PTGS1
SCHEMBL14903298 0.81 HDAC1 (0.76) HDAC6HDAC1

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 7 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 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
CN-103906732-A Hydroxamate derivatives for hdac inhibitor, and the pharmaceutical composition comprising thereof CHONG KUN DANG PHARM CORP 2014-07-02 CN 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.