SCHEMBL2469744

SCHEMBL2469744

COc1ccccc1C(=O)NC(C(=O)N1CCCC1)C1(c2ccccc2)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
HPGD P15428 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
AHR P35869 1/20 0.43
GFER P55789 1/20 0.43
HTT P42858 2/20 0.42
KCNA3 P22001 3/20 0.42
HCN1 O60741 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC6A9 P48067 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTTP P55157 1/20 0.40

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
SCHEMBL2494273 0.92 HCN4 (0.45) KMT2AALDH1A1MEN1HPGDNPC1
SCHEMBL2702758 0.87 OPRK1 (0.41) KMT2AALDH1A1MEN1HPGDKCNA3
SCHEMBL4031430 0.80 ALDH1A1 (0.47) KMT2AALDH1A1MEN1HPGDKCNA3
SCHEMBL2469022 0.78 ALDH1A1 (0.41) KMT2AALDH1A1MEN1HPGDNPC1
SCHEMBL2470694 0.77 ALDH1A1 (0.46) KMT2AALDH1A1MEN1HPGDNPC1
SCHEMBL2470867 0.77 KCNA3 (0.43) KCNA3
SCHEMBL2473874 0.77 ALDH1A1 (0.46) KMT2AALDH1A1MEN1HPGDNPC1
SCHEMBL2468588 0.76 ALDH1A1 (0.39) KMT2AALDH1A1MEN1HPGDNPC1
SCHEMBL2469730 0.76 ALDH1A1 (0.45) KMT2AALDH1A1MEN1HPGDNPC1
SCHEMBL2467857 0.76 ALDH1A1 (0.45) KMT2AALDH1A1MEN1HPGDNPC1

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