SCHEMBL2468580

SCHEMBL2468580

COc1ccccc1C(=O)NC(C1(c2ccccc2)CCCNCC1)S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.42
KCNA3 P22001 6/20 0.41
CTSD P07339 1/20 0.39
SLC6A9 P48067 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
ITGB7 P26010 2/20 0.37

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
SCHEMBL2470694 0.96 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHPGDKCNA3
SCHEMBL2470113 0.90 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2AHPGDKCNA3
SCHEMBL2468321 0.90 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDKCNA3
SCHEMBL2493114 0.90 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDKCNA3
SCHEMBL2472840 0.89 GAA (0.44) ALDH1A1MEN1KMT2AHPGDKCNA3
SCHEMBL2470999 0.89 MEN1 (0.48) ALDH1A1MEN1KMT2AHPGDKCNA3
SCHEMBL2472644 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHPGDKCNA3
SCHEMBL2469920 0.86 GAA (0.41) ALDH1A1MEN1KMT2AHPGDKCNA3
SCHEMBL2497385 0.86 KCNA3 (0.42) ALDH1A1MEN1KMT2AHPGDKCNA3
SCHEMBL2468331 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDKCNA3

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 11 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-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 ALDH1A1 3941/4885MEN1 3501/4885KMT2A 957/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885MEN1 3501/4885KMT2A 957/4885
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function KCNH2, KCNN1, KCNJ2 ALDH1A1 3045/4885MEN1 2867/4885KMT2A 1147/4885

“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.