SCHEMBL2977758

SCHEMBL2977758

COc1ccc(-c2ccc(CNCCCNc3nsc4ccc(-c5ccc(OC)cc5)cc34)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
NOS2 P35228 1/20 0.40
MCHR1 Q99705 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SLC2A1 P11166 1/20 0.40
CLK4 Q9HAZ1 2/20 0.39
DYRK1A Q13627 1/20 0.39
HTR2A P28223 1/20 0.39
EPAS1 Q99814 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL13202843 0.97 CHRM2 (0.48) CHRM2NOS2MCHR1SCN8ASLC2A1
SCHEMBL2977100 0.93 CHRM2 (0.41) CHRM2NOS2MCHR1SCN8ASLC2A1
SCHEMBL5290052 0.92 HTT (0.45) CHRM2NOS2MCHR1CLK4DYRK1A
SCHEMBL13202773 0.92 CHRM2 (0.43) CHRM2NOS2MCHR1SCN8ASLC2A1
SCHEMBL13220856 0.92 CHRM2 (0.43) CHRM2NOS2MCHR1SCN8ASLC2A1
SCHEMBL13202888 0.89 MEN1 (0.46) CHRM2NOS2MCHR1SCN8ASLC2A1
SCHEMBL13202695 0.89 EPAS1 (0.52) CHRM2NOS2SCN8AEPAS1MEN1
SCHEMBL2976590 0.89 ACP1 (0.42) CHRM2NOS2MEN1KMT2A
SCHEMBL13202700 0.85 EPAS1 (0.47) CHRM2SCN8ACLK4HTR2AEPAS1
SCHEMBL2977719 0.83 ACP1 (0.42) CHRM2NOS2MEN1KMT2A

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 4864/4885NOS2 923/4885MCHR1 4570/4885

“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.