SCHEMBL2491201

SCHEMBL2491201

Nc1nccnc1C(=O)NCC1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.49
PKM P14618 3/20 0.45
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SLC6A9 P48067 2/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2468582 0.91 HDAC3 (0.51) MCHR1PKMALDH1A1SMN1; SMN2GAA
SCHEMBL2470148 0.86 SLC6A9 (0.46) MCHR1ALDH1A1SMN1; SMN2LMNASLC6A9
SCHEMBL2496825 0.84 SLC6A9 (0.43) MCHR1LMNASLC6A9HDAC3HDAC1
SCHEMBL2473573 0.84 USP2 (0.44) MCHR1ALDH1A1SMN1; SMN2GAASLC6A9
SCHEMBL2467928 0.82 SLC6A9 (0.51) SMN1; SMN2LMNASLC6A9
SCHEMBL2468682 0.82 SLC6A9 (0.51) MCHR1LMNASLC6A9
SCHEMBL2470242 0.81 SOAT1 (0.40) SLC6A9HDAC3HDAC1HDAC2HDAC6
SCHEMBL2473506 0.81 CACNA1G (0.55) MCHR1DRD3
SCHEMBL2471924 0.80 PKM (0.45) PKMALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2469553 0.79 SLC6A9 (0.37) MCHR1SLC6A9

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-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US 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-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

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 MCHR1 3383/4885PKM 675/4885ALDH1A1 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.