SCHEMBL2469656

SCHEMBL2469656

COc1ccccc1C(=O)NC(C(=NS(C)(=O)=O)NCCc1ccncc1)C1(c2ccccc2)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
KCNA3 P22001 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
SLC6A9 P48067 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL2471493 0.88 KCNA3 (0.44) KCNA3ALDH1A1MEN1KMT2AITGA4
SCHEMBL2465680 0.84 ALDH1A1 (0.44) POLBALDH1A1L3MBTL1
SCHEMBL2467806 0.84 RAB9A (0.46) POLBKCNA3ALDH1A1MEN1KMT2A
SCHEMBL2470976 0.84 KCNA3 (0.41) KCNA3SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2469022 0.81 ALDH1A1 (0.41) KCNA3SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL2470867 0.81 KCNA3 (0.43) KCNA3
SCHEMBL2468588 0.78 ALDH1A1 (0.39) KCNA3SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL2471838 0.76 POLB (0.49) POLBKCNA3SMN1; SMN2ALDH1A1MAPT
SCHEMBL4031430 0.74 ALDH1A1 (0.47) KCNA3ALDH1A1MEN1KMT2ASLC6A9
SCHEMBL2471969 0.73 POLB (0.40) POLBKCNA3SMN1; SMN2ALDH1A1MAPT

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 POLB 4413/4885KCNA3 33/4885SMN1; SMN2 4032/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 POLB 4413/4885KCNA3 33/4885SMN1; 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.