SCHEMBL2969571

SCHEMBL2969571

CCCc1ccc(C(=O)NCCCNc2nsc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
TP53 P04637 3/20 0.50
KCNA3 P22001 1/20 0.47
HDAC3 O15379 1/20 0.45
MAPT P10636 4/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 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
SCHEMBL2978543 0.95 TMEM97 (0.53) TMEM97SIGMAR1TP53KCNA3MAPT
SCHEMBL2968728 0.93 TMEM97 (0.48) TMEM97SIGMAR1TP53KCNA3HDAC3
SCHEMBL2973568 0.89 TMEM97 (0.51) TMEM97SIGMAR1TP53KCNA3HDAC3
SCHEMBL2968671 0.88 TRPV1 (0.49) TMEM97SIGMAR1TP53KCNA3HDAC3
SCHEMBL2977856 0.87 TP53 (0.55) TP53KCNA3MAPT
SCHEMBL2977531 0.87 TP53 (0.53) TP53KCNA3MAPTHTR1ADRD2
SCHEMBL2979158 0.84 TP53 (0.48) TP53KCNA3MAPT
SCHEMBL2962211 0.84 TP53 (0.51) TMEM97SIGMAR1TP53KCNA3MAPT
SCHEMBL2977850 0.84 MEN1 (0.55) TMEM97SIGMAR1TP53KCNA3MAPT
SCHEMBL13220742 0.84 TP53 (0.51) TP53KCNA3MAPTHTR1ADRD2

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 TMEM97 1109/4885SIGMAR1 3257/4885TP53 561/4885

“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.