SCHEMBL2978752

SCHEMBL2978752

COc1ccc(-c2ccc(CNCCCNc3nsc4cccc(Cl)c34)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.43
SCN8A Q9UQD0 1/20 0.42
NOS2 P35228 1/20 0.38
P2RX7 Q99572 1/20 0.37
THRB P10828 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPAS1 Q99814 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PTGDR Q13258 1/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
KCNA5 P22460 1/20 0.36
CXCR4 P61073 1/20 0.36

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 0.89 KCNA5 (0.47) CHRM2SCN8ANOS2THRBEPAS1
SCHEMBL2978992 0.85 CHRM2 (0.41) CHRM2SCN8ANOS2THRBKCNA5
SCHEMBL5279672 0.84 CHRM2 (0.43) CHRM2SCN8ANOS2P2RX7THRB
SCHEMBL13202695 0.83 EPAS1 (0.52) CHRM2SCN8ANOS2THRBBCHE
SCHEMBL13203032 0.83 CHRM2 (0.43) CHRM2SCN8ANOS2KDM4EDYRK1A
SCHEMBL2976016 0.82 KMT2A (0.51) CYP1A2CYP3A4CYP2C19
SCHEMBL13202933 0.81 CHRM2 (0.44) CHRM2SCN8ANOS2THRBBCHE
SCHEMBL13202843 0.80 CHRM2 (0.48) CHRM2SCN8ANOS2EPAS1KDM4E
SCHEMBL2977758 0.79 CHRM2 (0.47) CHRM2SCN8ANOS2CYP1A2CYP3A4
SCHEMBL2968040 0.78 MEN1 (0.39) CHRM2SCN8ABCHEACHEHEXA

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 4762/4885NOS2 923/4885

“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.