SCHEMBL2968422

SCHEMBL2968422

O=S(=O)(NCCCNc1nsc2ccccc12)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.49
DRD2 P14416 12/20 0.47
HTR2A P28223 12/20 0.47
HTR7 P34969 12/20 0.47
HTR6 P50406 12/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTR1A P08908 2/20 0.44
BRAF P15056 1/20 0.44
HMOX1 P09601 1/20 0.43

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
SCHEMBL2969580 0.85 EPAS1 (0.53) EPAS1DRD2HTR2AHTR7HTR6
SCHEMBL2967065 0.84 DRD2 (0.45) EPAS1DRD2HTR2AHTR7HTR6
SCHEMBL2973043 0.83 MEN1 (0.57) DRD2HTR2AHTR7HTR6ATM
SCHEMBL2963869 0.83 EPAS1 (0.45) EPAS1DRD2HTR2AHTR7HTR6
SCHEMBL6111296 0.83 HTR2A (0.43) EPAS1DRD2HTR2AHTR7HTR6
SCHEMBL2977442 0.82 EPAS1 (0.41) EPAS1DRD2HTR2AHTR7HTR6
SCHEMBL2964412 0.82 DRD2 (0.52) EPAS1DRD2HTR2AHTR7HTR6
SCHEMBL2967087 0.82 DRD2 (0.42) DRD2HTR2AHTR7HTR6L3MBTL1
SCHEMBL2969702 0.81 DRD2 (0.46) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL2973868 0.80 HTT (0.53)

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 9 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
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 EPAS1 917/4885DRD2 4534/4885HTR2A 4571/4885

“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.