SCHEMBL2969587

SCHEMBL2969587

COc1ccc(-c2ccc(CN(CCCNc3nsc4ccccc34)C(=O)CC3CCCN3C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC2A1 P11166 2/20 0.38
PRMT5 O14744 1/20 0.36
HRH3 Q9Y5N1 6/20 0.36
MCHR1 Q99705 4/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
USP30 Q70CQ3 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
EPAS1 Q99814 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
SCHEMBL2976059 0.91 HRH3 (0.37) HRH3MCHR1TLR7ALDH1A1EPAS1
SCHEMBL13202986 0.91 HRH3 (0.36) HRH3MCHR1HTR1ADRD2HTR2A
SCHEMBL2967168 0.82 GHSR (0.38) SLC2A1L3MBTL1ALDH1A1EPAS1
SCHEMBL2977932 0.79 EPAS1 (0.45) EPAS1
SCHEMBL2978235 0.78 EPAS1 (0.41) HRH3MCHR1EPAS1
SCHEMBL2970654 0.77 TLR7 (0.48) MEN1KMT2AKDM4ETLR7ALDH1A1
SCHEMBL2973398 0.77 CTSS (0.42) ALDH1A1EPAS1
SCHEMBL2962354 0.77 EPAS1 (0.41) TLR7EPAS1
SCHEMBL2965339 0.76 MAPT (0.44) MEN1KMT2AHTR1AHTR2ATLR7
SCHEMBL2970120 0.76 KDM4E (0.43) MEN1KMT2AL3MBTL1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP claimed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO 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 MEN1 4684/4885KMT2A 2900/4885SLC2A1 1992/4885

“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.