SCHEMBL2963804

SCHEMBL2963804

COc1cccc(COc2ccc(C(=O)NCCCNc3nsc4ccccc34)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.53
MAPT P10636 3/20 0.53
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 2/20 0.48
MTNR1B P49286 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EPAS1 Q99814 1/20 0.45
MMP13 P45452 2/20 0.45
SCD O00767 1/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL2976402 0.90 MAPT (0.53) TP53MAPTLMNASMN1; SMN2MTNR1B
SCHEMBL2979156 0.85 HDAC3 (0.46) TP53MAPTLMNASMN1; SMN2HTT
SCHEMBL2977071 0.82 ALDH1A1 (0.53) TP53MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL2977760 0.82 EPAS1 (0.54) TP53MAPTRAB9ANPC1LMNA
SCHEMBL2975993 0.81 KCNA3 (0.50) TP53MAPTRAB9ANPC1KMT2A
SCHEMBL2965765 0.81 CYP3A4 (0.52) TP53MAPTRAB9ANPC1LMNA
SCHEMBL2977391 0.80 RAB9A (0.53) TP53MAPTRAB9ANPC1LMNA
SCHEMBL2970495 0.79 SMPD1 (0.58) TP53MAPTRAB9ANPC1LMNA
SCHEMBL2977503 0.79 NPC1 (0.52) TP53MAPTRAB9ANPC1LMNA
SCHEMBL2972727 0.79 MAPT (0.47) TP53MAPTRAB9ASMN1; SMN2KMT2A

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 TP53 561/4885MAPT 2483/4885RAB9A 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.