SCHEMBL2467797

SCHEMBL2467797

COc1ccccc1C(=O)NC(C1(C2=CCCCC2)CCNCC1)S(=O)(=O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.35
TP53 P04637 2/20 0.35
CCR8 P51685 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
CASP3 P42574 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSD P07339 1/20 0.34

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
SCHEMBL2470198 0.90 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL2466721 0.90 SLC6A9 (0.38)
SCHEMBL2470216 0.89 MMP3 (0.38) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL2494037 0.88 ALDH1A1 (0.34) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL2468517 0.86 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL2468331 0.84 ALDH1A1 (0.44) ALDH1A1HPGDRAB9ANPC1KMT2A
SCHEMBL2468321 0.84 ALDH1A1 (0.44) ALDH1A1HPGDRAB9ANPC1KMT2A
SCHEMBL2465785 0.81 GAA (0.40) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL2472114 0.80 KCNA3 (0.46) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL2468531 0.79 NPC1 (0.41) ALDH1A1HPGDRAB9ANPC1KMT2A

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 ALDH1A1 3941/4885HPGD 1527/4885SMN1; SMN2 4032/4885

“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.