SCHEMBL2469955

SCHEMBL2469955

COc1ccccc1C(=O)NC(C1(c2ccccc2)CCNCC1)S(=O)(=O)Nc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
POLB P06746 1/20 0.41
ALPL P05186 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
HCRTR2 O43614 1/20 0.38

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 0.91 ALDH1A1 (0.43) ALDH1A1GAANPC1RAB9AMEN1
SCHEMBL2471969 0.91 POLB (0.40) ITGA4ITGB7POLBALDH1A1TSHR
SCHEMBL2472448 0.86 GAA (0.41) POLBALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL2474261 0.86 ITGA4 (0.45) ITGA4ITGB7POLBALDH1A1MAPK1
SCHEMBL2471043 0.85 POLB (0.41) POLBALDH1A1MAPK1GAAKDM4E
SCHEMBL2468788 0.85 RAB9A (0.48) POLBALDH1A1SMN1; SMN2GAANPC1
SCHEMBL2471492 0.85 SMN1; SMN2 (0.42) ALDH1A1MAPK1LMNASMN1; SMN2GAA
SCHEMBL2467857 0.84 ALDH1A1 (0.45) ITGA4ITGB7ALDH1A1NPC1RAB9A
SCHEMBL2469730 0.84 ALDH1A1 (0.45) ITGA4ITGB7ALDH1A1TSHRNPC1
SCHEMBL2701253 0.83 CASP3 (0.39) POLBALDH1A1LMNASMN1; SMN2HTT

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 3975/4885POLB 4413/4885

“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.