SCHEMBL2967168

SCHEMBL2967168

COc1ccc(-c2ccc(CN(CCCNc3nsc4ccccc34)C(=O)CC3CCCN3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.38
EPAS1 Q99814 2/20 0.37
SLC2A1 P11166 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTR5A P47898 1/20 0.36
LPAR1 Q92633 1/20 0.35
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SLC6A4 P31645 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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 0.85 HRH3 (0.37) EPAS1ALDH1A1LPAR1POLBRAD52
SCHEMBL13202714 0.83 HRH3 (0.37) EPAS1ALDH1A1LPAR1
SCHEMBL2975434 0.82 EPAS1 (0.46) EPAS1ALDH1A1LPAR1POLBRAD52
SCHEMBL2978235 0.82 EPAS1 (0.41) EPAS1LPAR1POLBRAD52RXFP1
SCHEMBL2969587 0.82 MEN1 (0.38) EPAS1SLC2A1ALDH1A1L3MBTL1
SCHEMBL13202986 0.82 HRH3 (0.36) EPAS1ALDH1A1LPAR1
SCHEMBL2977932 0.81 EPAS1 (0.45) EPAS1LPAR1POLBRAD52RXFP1
SCHEMBL2973398 0.81 CTSS (0.42) EPAS1ALDH1A1LPAR1POLBRAD52
SCHEMBL2962354 0.81 EPAS1 (0.41) EPAS1LPAR1POLBRAD52RXFP1
SCHEMBL2970654 0.79 TLR7 (0.48) ALDH1A1POLBRAD52

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
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
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
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 GHSR 4087/4885EPAS1 917/4885SLC2A1 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.