SCHEMBL6502928

SCHEMBL6502928

COC(=O)c1ccccc1COc1cc(C)c(NC(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 4/20 0.44
MAOB P27338 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
HPGD P15428 3/20 0.41
PTPRB P23467 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39

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
SCHEMBL6490491 0.90 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAOBKMT2AMEN1
SCHEMBL6488469 0.89 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAOBKMT2AMEN1
SCHEMBL6487920 0.84 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAOBKMT2AMEN1
SCHEMBL6489011 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAOBKMT2AMEN1
SCHEMBL6499184 0.78 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAOBKMT2AMEN1
SCHEMBL25272394 0.76 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1285731 0.75 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL6490529 0.73 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7829074 0.72 NPC1 (0.56) SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL18308295 0.72 GAA (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E

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 1 patent. 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

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 SMN1; SMN2 1128/4885ALDH1A1 96/4885MAOB 1631/4885

“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.