SCHEMBL2468517

SCHEMBL2468517

COc1ccccc1C(=O)NC(C1(C2=CCOCC2)CCNCC1)S(=O)(=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 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
NPSR1 Q6W5P4 1/20 0.35
P2RX7 Q99572 1/20 0.35
HCN4 Q9Y3Q4 1/20 0.35
KCNA3 P22001 3/20 0.34
CCR8 P51685 1/20 0.34
CASP3 P42574 1/20 0.33
TSHR P16473 2/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL2467797 0.86 ALDH1A1 (0.37) ALDH1A1HPGDSMN1; SMN2GAANPSR1
SCHEMBL2468331 0.83 ALDH1A1 (0.44) ALDH1A1HPGDKCNA3CCR8CASP3
SCHEMBL2468321 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKCNA3L3MBTL1MEN1
SCHEMBL2465785 0.80 GAA (0.40) ALDH1A1HPGDPOLBKDM4ESMN1; SMN2
SCHEMBL2472114 0.79 KCNA3 (0.46) ALDH1A1HPGDPOLBKDM4EMAPT
SCHEMBL2468531 0.78 NPC1 (0.41) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL2469428 0.77 ALDH1A1 (0.44) ALDH1A1HPGDKCNA3CCR8CASP3
SCHEMBL2471065 0.77 HPGD (0.42) ALDH1A1HPGDPOLBMAPTSMN1; SMN2
SCHEMBL2466721 0.77 SLC6A9 (0.38)
SCHEMBL2470198 0.77 SMN1; SMN2 (0.35) ALDH1A1MAPTSMN1; SMN2LMNAGAA

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
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-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 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 (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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885HPGD 1527/4885POLB 4413/4885

“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.