SCHEMBL2978992

SCHEMBL2978992

COc1ccc(-c2ccc(CNCCCNc3nsc4cccc(C(F)(F)F)c34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
SCN8A Q9UQD0 2/20 0.40
USP1 O94782 2/20 0.39
WDR48 Q8TAF3 2/20 0.39
KCNA5 P22460 1/20 0.38
MAPT P10636 5/20 0.37
TP53 P04637 3/20 0.37
NOS2 P35228 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADORA2A P29274 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL13202894 0.86 KCNA5 (0.47) CHRM2SCN8AKCNA5NOS2THRB
SCHEMBL2978752 0.85 CHRM2 (0.43) CHRM2SCN8AKCNA5NOS2THRB
SCHEMBL2970288 0.83 KMT2A (0.46) MAPTTP53SMN1; SMN2MEN1GAA
SCHEMBL3162804 0.81 KCNA5 (0.37) USP1WDR48KCNA5MAPTTP53
SCHEMBL13202695 0.81 EPAS1 (0.52) CHRM2SCN8ANOS2THRBMEN1
SCHEMBL2976590 0.79 ACP1 (0.42) CHRM2MAPTTP53NOS2MEN1
SCHEMBL2977719 0.79 ACP1 (0.42) CHRM2MAPTTP53NOS2MEN1
SCHEMBL13202933 0.79 CHRM2 (0.44) CHRM2SCN8ANOS2THRBMEN1
SCHEMBL13202843 0.78 CHRM2 (0.48) CHRM2SCN8ANOS2MEN1KMT2A
SCHEMBL2977758 0.77 CHRM2 (0.47) CHRM2SCN8ANOS2MEN1KMT2A

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
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS CHRM2 4864/4885SCN8A 4762/4885USP1 1824/4885

“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.