SCHEMBL2471043

SCHEMBL2471043

COc1ccccc1C(=O)NC(C1(c2ccccc2)CCNCC1)S(=O)(=O)Nc1cccc(O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
RXFP1 Q9HBX9 3/20 0.40
KCNK3 O14649 4/20 0.40
KCNK9 Q9NPC2 4/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B2 P37059 2/20 0.38
HSD11B1 P28845 1/20 0.38
CASP3 P42574 1/20 0.38
MAPK1 P28482 2/20 0.37
ATM Q13315 1/20 0.37
KCNA3 P22001 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
CHRM3 P20309 1/20 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
SCHEMBL2469444 0.92 ALDH1A1 (0.43) RAB9ANPC1RXFP1KCNK3KCNK9
SCHEMBL2471492 0.91 SMN1; SMN2 (0.42) RAB9ANPC1RXFP1KCNK3KCNK9
SCHEMBL2701253 0.87 CASP3 (0.39) POLBNPC1RXFP1KCNK3KCNK9
SCHEMBL2472448 0.87 GAA (0.41) POLBRAB9ANPC1RXFP1KMT2A
SCHEMBL2467857 0.86 ALDH1A1 (0.45) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL2471969 0.86 POLB (0.40) POLBRXFP1KMT2AALDH1A1MEN1
SCHEMBL2469955 0.85 ITGA4 (0.43) POLBRAB9ANPC1KMT2AALDH1A1
SCHEMBL2469730 0.84 ALDH1A1 (0.45) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL2493114 0.83 ALDH1A1 (0.44) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL2473874 0.83 ALDH1A1 (0.46) RAB9ANPC1KMT2AALDH1A1MEN1

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 6 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-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 POLB 4413/4885RAB9A 1780/4885NPC1 989/4885

“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.