SCHEMBL2469730

SCHEMBL2469730

COc1ccccc1C(=O)NC(C1(c2ccccc2)CCNCC1)S(=O)(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNA3 P22001 9/20 0.42
SLC6A9 P48067 1/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTSD P07339 1/20 0.39
CASP3 P42574 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CCR8 P51685 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 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
SCHEMBL2467857 0.92 ALDH1A1 (0.45) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2469444 0.90 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2473874 0.90 ALDH1A1 (0.46) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2913575 0.90 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2471079 0.89 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2699894 0.89 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2470694 0.89 ALDH1A1 (0.46) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2470380 0.88 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2701380 0.88 KCNA3 (0.43) ALDH1A1HPGDMEN1KMT2AKCNA3
SCHEMBL2493114 0.88 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2AKCNA3

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 1527/4885MEN1 3501/4885

“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.