SCHEMBL2468166

SCHEMBL2468166

COc1ccccc1C(=O)NC(C1(c2cccc(F)c2)CCCNCC1)S(=O)(=O)n1ccnc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A9 P48067 1/20 0.34
CCR8 P51685 1/20 0.33
RECQL P46063 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ATM Q13315 1/20 0.33
GAA P10253 1/20 0.33
CHRM3 P20309 1/20 0.33
SOAT1 P35610 2/20 0.32
KCNA3 P22001 1/20 0.32
CCR3 P51677 1/20 0.32

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
SCHEMBL2467171 0.88 SLC6A9 (0.40) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2493197 0.87 SOAT1 (0.33) SMN1; SMN2KMT2ACCR8RECQLHCRTR1
SCHEMBL2470113 0.85 SMN1; SMN2 (0.42) NPC1LMNAPKMRAB9ASMN1; SMN2
SCHEMBL2465586 0.84 SMN1; SMN2 (0.41) NPC1LMNAPKMRAB9ASMN1; SMN2
SCHEMBL2470303 0.82 NPC1 (0.39) NPC1LMNAPKMRAB9ASMN1; SMN2
SCHEMBL2473766 0.82 SMN1; SMN2 (0.44) NPC1LMNAPKMRAB9ASMN1; SMN2
SCHEMBL2468906 0.80 ITGA4 (0.34) SMN1; SMN2KMT2AMEN1ALDH1A1SLC6A9
SCHEMBL2472224 0.80 NPC1 (0.37) NPC1LMNAPKMRAB9ASMN1; SMN2
SCHEMBL6358742 0.78 RAB9A (0.41) NPC1LMNAPKMRAB9ASMN1; SMN2
SCHEMBL2918002 0.78 SMN1; SMN2 (0.43) NPC1LMNAPKMRAB9ASMN1; SMN2

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 8 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
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 NPC1 989/4885LMNA 1070/4885PKM 675/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 NPC1 989/4885LMNA 1070/4885PKM 675/4885

“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.