SCHEMBL2469683

SCHEMBL2469683

COc1ccccc1CNC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2cccc(F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
PKM P14618 2/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GFER P55789 1/20 0.51
LMNA P02545 2/20 0.50
CYP2D6 P10635 1/20 0.50
USP2 O75604 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL2470245 0.92 ALDH1A1 (0.55) ALDH1A1PKMRAB9AMEN1KMT2A
SCHEMBL2468167 0.87 ALDH1A1 (0.67) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL14312498 0.86 PKM (0.54) ALDH1A1PKMRAB9AMEN1KMT2A
SCHEMBL2468317 0.85 ALDH1A1 (0.80) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL2518724 0.82 ALDH1A1 (0.55) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL2470771 0.82 CHRM5 (0.65) ALDH1A1PKMMEN1KMT2ACYP2D6
SCHEMBL14312805 0.78 ALDH1A1 (0.54) ALDH1A1PKMRAB9AMEN1KMT2A
SCHEMBL2472117 0.78 ALDH1A1 (0.62) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL2701162 0.78 KMT2A (0.76) ALDH1A1PKMRAB9AMEN1KMT2A
SCHEMBL2470391 0.77 KDM4E (0.54) ALDH1A1RAB9AMEN1KMT2ALMNA

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 14 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 claimed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3941/4885PKM 675/4885RAB9A 1780/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885PKM 675/4885RAB9A 1780/4885

“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.