SCHEMBL2474261

SCHEMBL2474261

COc1ccccc1C(=O)NC(C1(c2ccccc2)CCNCC1)S(=O)(=O)NCc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
RECQL P46063 1/20 0.40
NAMPT P43490 3/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2465850 0.92 HPGD (0.47) ITGA4ITGB7ALDH1A1POLBMEN1
SCHEMBL2471838 0.91 POLB (0.49) ITGA4ITGB7ALDH1A1POLBMEN1
SCHEMBL2471134 0.87 HPGD (0.41) ITGA4ITGB7L3MBTL1ALDH1A1GAA
SCHEMBL2702740 0.87 HPGD (0.41) ITGA4ITGB7ALDH1A1POLBMEN1
SCHEMBL2469955 0.86 ITGA4 (0.43) ITGA4ITGB7ALDH1A1POLBGAA
SCHEMBL2473489 0.85 RAB9A (0.46) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL2699894 0.84 ALDH1A1 (0.44) ITGA4ITGB7ALDH1A1MEN1KMT2A
SCHEMBL2472137 0.83 KCNA3 (0.43) ALDH1A1MEN1KMT2AHPGD
SCHEMBL2471820 0.83 KCNA3 (0.44) ALDH1A1MEN1KMT2AHPGD
SCHEMBL2470787 0.82 ALDH1A1 (0.42) ITGA4ITGB7ALDH1A1MEN1KMT2A

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 ITGA4 4566/4885ITGB7 3975/4885L3MBTL1 1381/4885

“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.