SCHEMBL5611084

SCHEMBL5611084

Cc1cnc(CN2C(=O)CSC2=Nc2ccc(N3CCOCC3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
CA9 Q16790 1/20 0.42
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38
GFER P55789 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.34

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
SCHEMBL5611082 1.00 NPC1 (0.42) NPC1NPSR1MAPTALDH1A1CA9
SCHEMBL14586877 1.00 NPC1 (0.42) NPC1NPSR1MAPTALDH1A1CA9
SCHEMBL5611040 0.79 MAPT (0.34) MAPTALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL14586878 0.79 MAPT (0.34) MAPTALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL5611038 0.79 MAPT (0.34) MAPTALDH1A1MAPK1RAB9ASMN1; SMN2
SCHEMBL5611076 0.77 MAPT (0.40) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL5611077 0.77 MAPT (0.40) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL5611072 0.69 GFER (0.47) NPC1MAPTALDH1A1CA9MAPK1
SCHEMBL14586907 0.69 GFER (0.47) NPC1MAPTALDH1A1CA9MAPK1
SCHEMBL5611068 0.69 GFER (0.47) NPC1MAPTALDH1A1CA9MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183302-B2 Iminothiazolidinones as inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-20050096364-A1 Iminothiazolidinones as inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US disclosed
US-20050069522-A1 Combination pharmaceutical agents as inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2005-03-31 US disclosed
WO-2004014313-A2 COMBINATION PHARMACEUTICAL AGENTS AS INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
WO-2004014852-A2 IMINOTHIAZOLIDINONES AS INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 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 (2 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-20050069522-A1 Combination pharmaceutical agents as inhibitors of HCV replication IMPDH1, IMPDH2, IMPA1 NPC1 325/4885NPSR1 3142/4885MAPT 4776/4885
US-20050096364-A1 Iminothiazolidinones as inhibitors of HCV replication EIF2AK2, RTF2, IFNAR1 NPC1 2383/4885NPSR1 3739/4885MAPT 3563/4885

“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.