SCHEMBL2969713

SCHEMBL2969713

CCCOc1ccc(C(=O)NCCNc2nsc3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
TP53 P04637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
PLK1 P53350 1/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL2966697 0.96 NPC1 (0.55) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2969593 0.94 NPC1 (0.53) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2977162 0.88 MAPT (0.53) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL2977760 0.87 EPAS1 (0.54) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2977531 0.86 TP53 (0.53) MAPTSMN1; SMN2TP53TSHR
SCHEMBL2975515 0.85 NPC1 (0.53) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL2977503 0.84 NPC1 (0.52) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL2979158 0.84 TP53 (0.48) MAPTSMN1; SMN2TP53LMNA
SCHEMBL2974715 0.84 TP53 (0.53) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL2979497 0.83 LMNA (0.56) MAPTNPC1RAB9ASMN1; SMN2TP53

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 MAPT 2483/4885NPC1 242/4885RAB9A 4073/4885

“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.