SCHEMBL10248949

SCHEMBL10248949

CC(C)c1nc(Cc2ccc(C#N)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.42
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GAA P10253 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
CYP19A1 P11511 2/20 0.35
PTPRB P23467 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33

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
SCHEMBL10284905 0.81 GAA (0.55) LOXL2CYP2A6HDAC1HDAC6GAA
SCHEMBL10248929 0.80 SLC6A3 (0.43) SLC6A3DRD2HTR2AHRH1PTPRB
SCHEMBL16018753 0.80 SLC6A3 (0.43) SLC6A3HDAC1HDAC6DRD2HTR2A
SCHEMBL10249190 0.79 SLC6A3 (0.56) SLC6A3HDAC1HDAC6DRD2HTR2A
SCHEMBL28306246 0.78 NOS1 (0.45) LOXL2HDAC1HDAC6GAAHRH3
SCHEMBL10252493 0.77 LTA4H (0.48) SLC6A3GAA
SCHEMBL13604293 0.77 CYP17A1 (0.44) SLC6A3DRD2HTR2AHRH1CYP19A1
SCHEMBL10252529 0.76 LTA4H (0.47) SLC6A3HDAC1HDAC6DRD2HTR2A
SCHEMBL12997563 0.75 GAA (0.64) GAACDC25ACDC25BCDC25C
SCHEMBL10248870 0.75 SLC6A3 (0.43) SLC6A3GAADRD2HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 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-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A LOXL2 4162/4885SLC6A3 227/4885CYP2A6 2364/4885

“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.