SCHEMBL2966548

SCHEMBL2966548

O=C(NCCCNc1nsc2ccccc12)c1cccc(I)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.53
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
TP53 P04637 4/20 0.44
KCNA3 P22001 1/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL2971364 0.93 TP53BP1 (0.46) TP53BP1HTR1ADRD2HTR2AHTR7
SCHEMBL2973894 0.85 TP53BP1 (0.49) TP53BP1DRD2SMN1; SMN2HDAC1HDAC2
SCHEMBL2962075 0.85 TP53BP1 (0.49) TP53BP1DRD2SMN1; SMN2HDAC1HDAC2
SCHEMBL2970131 0.82 SMN1; SMN2 (0.60) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL13220577 0.82 KISS1R (0.42) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2962211 0.82 TP53 (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2977850 0.82 MEN1 (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2977960 0.82 KCNA3 (0.64) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL13220742 0.82 TP53 (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2974074 0.81 HTR1A (0.51) HTR1ADRD2HTR2AHTR7HTR6

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
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 TP53BP1 759/4885HTR1A 4426/4885DRD2 4534/4885

“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.