SCHEMBL2470105

SCHEMBL2470105

Nc1nccnc1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCN(S(N)(=O)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.48
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 1/20 0.42
SOAT1 P35610 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
SLC6A9 P48067 4/20 0.40
CHRNA7 P36544 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL2470242 0.88 SOAT1 (0.40) SLC6A4SLC6A3SOAT1SLC6A9HDAC3
SCHEMBL2513187 0.88 TLR7 (0.48) TLR7SLC6A4SLC6A3SOAT1KDM4E
SCHEMBL2465414 0.86 SLC6A9 (0.47) SLC6A9
SCHEMBL2470148 0.86 SLC6A9 (0.46) SLC6A9
SCHEMBL13183054 0.85 SLC6A4 (0.41) SLC6A4SLC6A3SOAT1KDM4ESLC6A9
SCHEMBL2473884 0.84 TACR1 (0.48) TLR7SLC6A4SLC6A3SOAT1KDM4E
SCHEMBL13594135 0.82 TLR7 (0.44) TLR7SLC6A4SLC6A3SOAT1KDM4E
SCHEMBL2469553 0.82 SLC6A9 (0.37) SLC6A9
SCHEMBL2470351 0.79 SLC6A9 (0.43) SLC6A9
SCHEMBL2465808 0.78 SLC6A9 (0.61) SOAT1MAPTSLC6A9MEN1KMT2A

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 TLR7 4251/4885SLC6A4 2532/4885SLC6A3 3169/4885

“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.