SCHEMBL2858832

SCHEMBL2858832

COc1ccccc1C(=O)NC(c1ccccc1)C1CCC(NS(=O)(=O)N2CCCC(O)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.45
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
OPRK1 P41145 1/20 0.43
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 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
SCHEMBL2861504 0.95 ALDH1A1 (0.47) KCNA5ALDH1A1KMT2AMEN1HPGD
SCHEMBL2857658 0.85 KMT2A (0.55) KCNA5ALDH1A1KMT2AMEN1HPGD
SCHEMBL2867485 0.85 KCNA5 (0.47) KCNA5ALDH1A1KMT2AMEN1HPGD
SCHEMBL2857096 0.85 HPGD (0.48) KCNA5ALDH1A1KMT2AMEN1HPGD
SCHEMBL2854756 0.85 KCNA5 (0.49) KCNA5ALDH1A1KMT2AMEN1HPGD
SCHEMBL2853429 0.84 MAPT (0.44) KCNA5ALDH1A1KMT2AMEN1HPGD
SCHEMBL2878387 0.84 KCNA5 (0.46) KCNA5ALDH1A1KMT2AMEN1HPGD
SCHEMBL2858407 0.83 KCNA5 (0.44) KCNA5ALDH1A1KMT2AMEN1HPGD
SCHEMBL2867561 0.81 MAPT (0.52) KCNA5ALDH1A1KMT2AHPGDPOLB
SCHEMBL3455507 0.81 MEN1 (0.62) KCNA5ALDH1A1KMT2AMEN1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 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-20050234106-A1 Cycloalkyl inhibitors of potassium channel function KCNJ2, KCNN3, KCNQ5 KCNA5 23/4885ALDH1A1 4075/4885KMT2A 1396/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 KCNA5 23/4885ALDH1A1 4075/4885KMT2A 1396/4885

“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.