SCHEMBL14896149

SCHEMBL14896149

C=C1C(=O)c2c(n(Cc3ccc(C(=O)OC)cc3)c3ccccc23)CC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.56
HDAC1 Q13547 9/20 0.56
CNR2 P34972 1/20 0.45
HDAC10 Q969S8 2/20 0.42
DRD2 P14416 4/20 0.42
TBXA2R P21731 4/20 0.42

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
SCHEMBL14896145 0.90 HDAC6 (0.55) HDAC6HDAC1HDAC10
SCHEMBL14896021 0.87 HDAC1 (0.49) HDAC6HDAC1HDAC10
SCHEMBL14893963 0.84 HDAC6 (0.78) HDAC6HDAC1CNR2HDAC10
SCHEMBL14893720 0.84 HDAC6 (0.53) HDAC6HDAC1CNR2HDAC10
SCHEMBL14896109 0.81 HDAC6 (0.52) HDAC6HDAC1CNR2HDAC10
SCHEMBL14896317 0.78 HDAC1 (0.58) HDAC6HDAC1CNR2
SCHEMBL14895937 0.77 HDAC6 (0.75) HDAC6HDAC1CNR2HDAC10
SCHEMBL14895799 0.76 BRD4 (0.55) HDAC6HDAC1
SCHEMBL1002975 0.76 HDAC6 (0.67) HDAC6HDAC1CNR2HDAC10DRD2
SCHEMBL5438238 0.75 P2RX4 (0.66) HDAC6HDAC1CNR2HDAC10DRD2

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 6 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
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 1/4885CNR2 3467/4885

“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.