SCHEMBL2470198

SCHEMBL2470198

COc1cccc(OC)c1C(=O)NC(C1(C2=CCCCC2)CCNCC1)S(=O)(=O)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
ITGB1 P05556 7/20 0.35
ITGA4 P13612 7/20 0.35
ITGB7 P26010 7/20 0.35
MAPT P10636 1/20 0.34
SLC6A9 P48067 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.32
LMNA P02545 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
SCHEMBL2467797 0.90 ALDH1A1 (0.37) SMN1; SMN2NPC1ALDH1A1RAB9AITGB1
SCHEMBL2470216 0.84 MMP3 (0.38) SMN1; SMN2NPC1ALDH1A1RAB9AMAPT
SCHEMBL2466721 0.82 SLC6A9 (0.38) SLC6A9
SCHEMBL2494037 0.82 ALDH1A1 (0.34) SMN1; SMN2NPC1ALDH1A1RAB9AMAPT
SCHEMBL2471159 0.78 SLC6A9 (0.36) ALDH1A1ITGB1ITGA4ITGB7SLC6A9
SCHEMBL2469569 0.78 CCNA2 (0.39) ITGB1ITGA4ITGB7SLC6A9MEN1
SCHEMBL2468517 0.77 ALDH1A1 (0.36) SMN1; SMN2NPC1ALDH1A1RAB9AMAPT
SCHEMBL2495581 0.76 SIGMAR1 (0.36) SMN1; SMN2NPC1ALDH1A1ITGB1ITGA4
SCHEMBL2468331 0.74 ALDH1A1 (0.44) NPC1ALDH1A1RAB9AITGB1ITGA4
SCHEMBL2468321 0.73 ALDH1A1 (0.44) NPC1ALDH1A1RAB9AITGB1ITGA4

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 SMN1; SMN2 4032/4885NPC1 989/4885ALDH1A1 3941/4885

“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.