SCHEMBL2977754

SCHEMBL2977754

CCCCCOc1ccc(C(=O)NCCNc2nsc3ccc(Cl)cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ACAT1 P24752 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
MMP1 P03956 1/20 0.42
SMPD1 P17405 1/20 0.42
GAA P10253 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
SCHEMBL2969593 0.87 NPC1 (0.53) NPC1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL2971097 0.86 SMPD1 (0.56) KMT2ASMPD1GAA
SCHEMBL2979033 0.86 TMEM97 (0.43) NPC1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL2966697 0.84 NPC1 (0.55) NPC1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL2969713 0.81 MAPT (0.55) NPC1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL2978119 0.80 NPC1 (0.50) NPC1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL13202772 0.80 NPC1 (0.50) NPC1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL2965592 0.75 SMPD1 (0.55) MAPTKMT2ALMNASMPD1
SCHEMBL13202704 0.75 SMPD1 (0.59) NPC1SMN1; SMN2RAB9AMAPTKMT2A
SCHEMBL2977531 0.75 TP53 (0.53) SMN1; SMN2MAPTHTT

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 242/4885SMN1; SMN2 4300/4885RAB9A 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.