SCHEMBL2966697

SCHEMBL2966697

CCCCOc1ccc(C(=O)NCCNc2nsc3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.53
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
LMNA P02545 1/20 0.49
MMP1 P03956 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL2969593 0.98 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2969713 0.96 MAPT (0.55) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2977531 0.90 TP53 (0.53) MAPTSMN1; SMN2TP53
SCHEMBL2977162 0.88 MAPT (0.53) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL13202704 0.87 SMPD1 (0.59) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL2977760 0.87 EPAS1 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2973568 0.86 TMEM97 (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2968671 0.85 TRPV1 (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2975515 0.85 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2977754 0.84 NPC1 (0.46) NPC1RAB9AMEN1KMT2AMAPT

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 NPC1 242/4885RAB9A 4073/4885MEN1 4684/4885

“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.