SCHEMBL5611072

SCHEMBL5611072

O=C1CSC(=Nc2ccc(N3CCOCC3)cc2)N1c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.47
MAPT P10636 7/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KIT P10721 2/20 0.40
FLT3 P36888 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.38
CA9 Q16790 1/20 0.38
LRRK2 Q5S007 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14586907 1.00 GFER (0.47) GFERMAPTMAPK1ALDH1A1KDM4E
SCHEMBL5611068 1.00 GFER (0.47) GFERMAPTMAPK1ALDH1A1KDM4E
SCHEMBL6911558 0.94 GFER (0.42) GFERMAPTMAPK1ALDH1A1KDM4E
SCHEMBL6911554 0.94 GFER (0.42) GFERMAPTMAPK1ALDH1A1KDM4E
SCHEMBL14586877 0.69 NPC1 (0.42) GFERMAPTMAPK1ALDH1A1NPC1
SCHEMBL5611084 0.69 NPC1 (0.42) GFERMAPTMAPK1ALDH1A1NPC1
SCHEMBL5611082 0.69 NPC1 (0.42) GFERMAPTMAPK1ALDH1A1NPC1
SCHEMBL16735374 0.68 SMN1; SMN2 (0.51) MAPTMAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL22326 0.68 ALDH1A1 (0.69) MAPTMAPK1ALDH1A1KDM4EHPGD
SCHEMBL29390734 0.68 ALDH1A1 (0.69) MAPTMAPK1ALDH1A1KDM4EHPGD

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 3 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

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 GFER 3260/4885MAPT 4776/4885MAPK1 3527/4885
US-20050096364-A1 Iminothiazolidinones as inhibitors of HCV replication EIF2AK2, RTF2, IFNAR1 GFER 1771/4885MAPT 3563/4885MAPK1 1782/4885

“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.