SCHEMBL2965592

SCHEMBL2965592

CCCCOc1cc(C(=O)NCCNc2nsc3ccc(NCCC)cc23)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.55
CNR2 P34972 3/20 0.50
TP53 P04637 1/20 0.47
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 1/20 0.43
CFTR P13569 1/20 0.42
ROCK2 O75116 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
HDAC3 O15379 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
SCHEMBL2971097 0.89 SMPD1 (0.56) SMPD1CNR2TP53PDE4APDE4B
SCHEMBL13202704 0.88 SMPD1 (0.59) SMPD1CNR2TP53PDE4APDE4B
SCHEMBL2970495 0.84 SMPD1 (0.58) SMPD1CNR2TP53PDE4APDE4B
SCHEMBL2976625 0.79 RAB9A (0.55) TP53LMNAMAPTKMT2ACFTR
SCHEMBL2966697 0.76 NPC1 (0.55) TP53LMNAMAPTKMT2A
SCHEMBL2977391 0.76 RAB9A (0.53) SMPD1TP53LMNAMAPTKMT2A
SCHEMBL2977754 0.75 NPC1 (0.46) SMPD1LMNAMAPTKMT2A
SCHEMBL2969593 0.74 NPC1 (0.53) SMPD1TP53LMNAMAPTKMT2A
SCHEMBL2966783 0.73 SMN1; SMN2 (0.51) TP53LMNAMAPTKMT2ACFTR
SCHEMBL2977856 0.73 TP53 (0.55) TP53MAPT

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 SMPD1 2927/4885CNR2 2852/4885TP53 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.