SCHEMBL2469652

SCHEMBL2469652

COc1ccccc1C(=O)NC(C1(c2ccccc2)CCNCC1)S(=O)(=O)N1CCOC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 3/20 0.41
SLC6A9 P48067 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
BRPF1 P55201 2/20 0.37
HCN4 Q9Y3Q4 1/20 0.36
POLB P06746 3/20 0.36
CASP3 P42574 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HCRTR1 O43613 1/20 0.35
MITF O75030 1/20 0.35
S1PR2 O95136 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2470190 0.81 SLC6A9 (0.42) KCNA3SLC6A9ALDH1A1MEN1KMT2A
SCHEMBL2470694 0.81 ALDH1A1 (0.46) KCNA3SLC6A9ALDH1A1MEN1KMT2A
SCHEMBL2468258 0.80 SLC6A9 (0.40) KCNA3SLC6A9ALDH1A1MEN1KMT2A
SCHEMBL2469444 0.80 ALDH1A1 (0.43) KCNA3SLC6A9ALDH1A1MEN1KMT2A
SCHEMBL2467857 0.80 ALDH1A1 (0.45) KCNA3SLC6A9ALDH1A1MEN1KMT2A
SCHEMBL2469730 0.80 ALDH1A1 (0.45) KCNA3SLC6A9ALDH1A1MEN1KMT2A
SCHEMBL2473583 0.80 SLC6A9 (0.43) KCNA3SLC6A9ALDH1A1MEN1KMT2A
SCHEMBL2471385 0.80 SLC6A9 (0.41) KCNA3SLC6A9ALDH1A1MEN1KMT2A
SCHEMBL2471014 0.80 ALDH1A1 (0.38) KCNA3SLC6A9ALDH1A1MEN1KMT2A
SCHEMBL2467171 0.79 SLC6A9 (0.40) KCNA3SLC6A9ALDH1A1MEN1KMT2A

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 12 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
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
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 KCNA3 33/4885SLC6A9 2351/4885ALDH1A1 3941/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KCNA3 33/4885SLC6A9 2351/4885ALDH1A1 3941/4885
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function KCNH2, KCNN1, KCNJ2 KCNA3 28/4885SLC6A9 1906/4885ALDH1A1 3045/4885

“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.