SCHEMBL6404782

SCHEMBL6404782

Cn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
MAPK1 P28482 2/20 0.69
POLB P06746 2/20 0.69
TP53 P04637 2/20 0.69
HPGD P15428 2/20 0.69
TSHR P16473 5/20 0.65
MAPT P10636 4/20 0.57
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4203695 0.87 ALDH1A1 (0.72) ALDH1A1MAPK1POLBTP53HPGD
SCHEMBL4209560 0.86 ALDH1A1 (0.71) ALDH1A1MAPK1POLBTP53HPGD
SCHEMBL6404317 0.79 ALDH1A1 (0.64) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL4200737 0.75 ALDH1A1 (0.73) ALDH1A1MAPK1POLBHPGDTSHR
SCHEMBL4199249 0.75 ALDH1A1 (0.58) ALDH1A1MAPK1POLBTP53HPGD
SCHEMBL6410921 0.75 NPC1 (0.67) ALDH1A1HPGDMAPTHTTKDM4E
SCHEMBL4206060 0.74 CDC25A (0.67) ALDH1A1MAPK1POLBHPGDTSHR
SCHEMBL4216773 0.73 CDC25A (0.69) ALDH1A1POLBHPGDMAPTHTT
SCHEMBL4210989 0.72 SMN1; SMN2 (0.64) MAPK1POLBTP53TSHRMAPT
SCHEMBL4208180 0.71 MAPT (0.66) ALDH1A1MAPK1POLBTP53HPGD

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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT ALDH1A1 720/4885MAPK1 4613/4885POLB 854/4885

“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.