SCHEMBL14895799

SCHEMBL14895799

COC(=O)c1ccc(Cn2c3c(c4ccccc42)C(=O)NCC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.55
BRD2 P25440 1/20 0.55
BRD3 Q15059 1/20 0.55
CREBBP Q92793 1/20 0.55
HDAC6 Q9UBN7 5/20 0.53
HDAC1 Q13547 4/20 0.53
PTPN1 P18031 1/20 0.52
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
ALB P02768 1/20 0.50

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
SCHEMBL14894238 0.87 HDAC1 (0.56) HDAC6HDAC1BCHEACHE
SCHEMBL14896147 0.86 HDAC6 (0.72) HDAC6HDAC1
SCHEMBL14903172 0.85 BRD4 (0.55) BRD4BRD2BRD3CREBBPHDAC6
SCHEMBL14895937 0.84 HDAC6 (0.75) HDAC6HDAC1
SCHEMBL588 0.83 BCHE (0.69) BRD4BRD2BRD3CREBBPBCHE
SCHEMBL14893720 0.82 HDAC6 (0.53) HDAC6HDAC1
SCHEMBL14896109 0.81 HDAC6 (0.52) HDAC6HDAC1
SCHEMBL20961446 0.81 HDAC6 (0.76) HDAC6HDAC1
SCHEMBL14895798 0.79 BRD4 (0.53) BRD4BRD2BRD3CREBBPBCHE
SCHEMBL14896412 0.79 HDAC6 (0.49) 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 5 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
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 BRD4 84/4885BRD2 91/4885BRD3 75/4885

“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.