SCHEMBL2701694

SCHEMBL2701694

COc1ccccc1C(=O)NC(C1(c2ccccc2)CCNCC1)S(=O)(=O)N(C)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
KCNA3 P22001 7/20 0.37
SLC6A9 P48067 1/20 0.36
GAA P10253 2/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
KAT6A Q92794 1/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL2469428 0.87 ALDH1A1 (0.44) NPC1ALDH1A1MEN1KMT2AHPGD
SCHEMBL2468331 0.87 ALDH1A1 (0.44) NPC1ALDH1A1MEN1KMT2AHPGD
SCHEMBL2467688 0.86 KDM4E (0.44) SMN1; SMN2NPC1ALDH1A1MEN1KMT2A
SCHEMBL2467306 0.86 ALDH1A1 (0.45) NPC1ALDH1A1MEN1KMT2AHPGD
SCHEMBL2471276 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDKCNA3
SCHEMBL2468321 0.85 ALDH1A1 (0.44) NPC1ALDH1A1MEN1KMT2AHPGD
SCHEMBL2468237 0.84 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHPGDKCNA3
SCHEMBL4406280 0.84 ALDH1A1 (0.41) NPC1ALDH1A1MEN1KMT2AHPGD
SCHEMBL2471910 0.84 ALDH1A1 (0.41) NPC1ALDH1A1MEN1KMT2AHPGD
SCHEMBL2473282 0.83 GAA (0.40) SMN1; SMN2NPC1ALDH1A1MEN1KMT2A

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 5 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-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 SMN1; SMN2 4032/4885NPC1 989/4885ALDH1A1 3941/4885

“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.