SCHEMBL2469417

SCHEMBL2469417

COc1ccccc1C(=S)NC(C1(c2ccccc2)CCNCC1)S(=O)(=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
ITGA4 P13612 4/20 0.35
ITGB7 P26010 4/20 0.35
ITGB1 P05556 3/20 0.35
KCNA3 P22001 5/20 0.35
SLC6A9 P48067 1/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP3 P08254 1/20 0.34
MMP10 P09238 1/20 0.34
CCR8 P51685 2/20 0.33
KCNH2 Q12809 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL2468331 0.89 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AITGA4ITGB7
SCHEMBL2471142 0.88 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ASIGMAR1ITGA4
SCHEMBL2468321 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AITGA4ITGB7
SCHEMBL2469428 0.83 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AITGA4ITGB7
SCHEMBL2471276 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKCNA3SLC6A9
SCHEMBL2467306 0.82 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKCNA3SLC6A9
SCHEMBL4406280 0.80 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AITGA4ITGB7
SCHEMBL2471159 0.80 SLC6A9 (0.36) ALDH1A1MEN1KMT2ASIGMAR1ITGA4
SCHEMBL2465785 0.80 GAA (0.40) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL2468531 0.80 NPC1 (0.41) ALDH1A1MEN1KMT2AKCNA3HPGD

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 ALDH1A1 3941/4885MEN1 3501/4885KMT2A 957/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885MEN1 3501/4885KMT2A 957/4885

“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.