SCHEMBL2969702

SCHEMBL2969702

O=S(=O)(NCCCNc1nsc2ccccc12)c1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.46
HTR2A P28223 15/20 0.46
HTR7 P34969 15/20 0.46
HTR6 P50406 15/20 0.46
HTR1A P08908 2/20 0.46
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
F13A1 P00488 1/20 0.40
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL2965708 0.85 ALDH1A1 (0.55) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL2967303 0.85 EPHX2 (0.52) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL13202654 0.84 LMNA (0.48) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL2976630 0.84 LMNA (0.51) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL2972977 0.83 DRD2 (0.42) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL2979390 0.83 DRD2 (0.47) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL2977843 0.83 ALDH1A1 (0.52) DRD2HTR2AHTR7HTR6ALDH1A1
SCHEMBL13220696 0.81 DRD2 (0.41) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL2971035 0.81 DRD2 (0.60) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL2978996 0.81 ALDH1A1 (0.49) DRD2HTR2AHTR7HTR6HTR1A

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 DRD2 4534/4885HTR2A 4571/4885HTR7 3619/4885

“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.