SCHEMBL6489323

SCHEMBL6489323

CCCCCOc1cnc(C(=O)OCC)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA2 P47869 2/20 0.49
THRB P10828 4/20 0.46
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44
THRA P10827 1/20 0.42
PLA2G2A P14555 1/20 0.41
L3MBTL1 Q9Y468 3/20 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
SCHEMBL17160932 0.78 ALDH1A1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17173720 0.78 MAPT (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6492223 0.78 MAPT (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15351663 0.77 CYP2C9 (0.51) MAPTNPC1HSD17B10ALDH1A1TP53
SCHEMBL15968220 0.77 NPC1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16346647 0.76 MAOB (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17362509 0.76 HSD17B10 (0.49) GABRA2MAPTNPC1HSD17B10ALDH1A1
SCHEMBL21102374 0.76 ALDH1A1 (0.49) MAPTNPC1HSD17B10ALDH1A1TP53
SCHEMBL18394836 0.76 NPC1 (0.49) MAPTNPC1HSD17B10ALDH1A1TP53
SCHEMBL15968296 0.75 ACACB (0.42) MAPTNPC1HSD17B10ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD GABRA1 966/4885GABRG2 1437/4885GABRB3 1025/4885

“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.