SCHEMBL2977100

SCHEMBL2977100

COc1ccc(-c2ccc(CNCCCNc3nsc4ccc(-c5cc(F)cc(F)c5)cc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GPR35 Q9HC97 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAP2K4 P45985 1/20 0.37
HTR2A P28223 2/20 0.37
POLB P06746 1/20 0.37
CLK4 Q9HAZ1 2/20 0.36
NOS2 P35228 1/20 0.36
AVPR1B P47901 1/20 0.36
MCHR1 Q99705 1/20 0.36
DYRK1A Q13627 2/20 0.36
CLK1 P49759 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
SCHEMBL2977758 0.93 CHRM2 (0.47) CHRM2LMNAMAPK1HTR2ACLK4
SCHEMBL13202843 0.90 CHRM2 (0.48) CHRM2HTR2ANOS2MCHR1SCN8A
SCHEMBL13202773 0.85 CHRM2 (0.43) CHRM2HTR2ANOS2MCHR1SCN8A
SCHEMBL5290052 0.85 HTT (0.45) CHRM2CNR1HTTHTR2ACLK4
SCHEMBL13220856 0.85 CHRM2 (0.43) CHRM2HTR2ANOS2MCHR1SCN8A
SCHEMBL2976590 0.85 ACP1 (0.42) CHRM2NOS2
SCHEMBL13202888 0.83 MEN1 (0.46) CHRM2LMNAHTR2APOLBNOS2
SCHEMBL13202695 0.83 EPAS1 (0.52) CHRM2POLBNOS2SCN8A
SCHEMBL2976877 0.83 NPC1 (0.45) LMNAPOLB
SCHEMBL2972698 0.80 MAPK1 (0.43) CHRM2MITFLMNACNR1CNR2

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 4864/4885MITF 1643/4885LMNA 4468/4885

“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.