SCHEMBL2467652

SCHEMBL2467652

COc1ccccc1C(=O)NC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
OPRD1 P41143 2/20 0.45
KCNH2 Q12809 1/20 0.45
OPRK1 P41145 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KCNA3 P22001 4/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44

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
SCHEMBL2468447 0.84 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL2467936 0.83 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL4631274 0.81 HDAC1 (0.57) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL4630803 0.80 HDAC1 (0.59) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL13593952 0.80 MEN1 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL12196102 0.79 TACR1 (0.48) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL4630784 0.78 HDAC1 (0.57) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL6759957 0.78 HDAC1 (0.57) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL2470236 0.78 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL3895859 0.76 HDAC1 (0.54) HDAC3HDAC1HDAC2HDAC6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 US disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 HDAC3 172/4885HDAC1 297/4885HDAC2 420/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 HDAC3 172/4885HDAC1 297/4885HDAC2 420/4885
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function KCNH2, KCNN1, KCNJ2 HDAC3 348/4885HDAC1 447/4885HDAC2 550/4885

“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.