SCHEMBL6404317

SCHEMBL6404317

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

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
KMT2A Q03164 2/20 0.64
CDC25A P30304 2/20 0.59
CDC25B P30305 2/20 0.59
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 3/20 0.52
HPGD P15428 1/20 0.50
PTGES O14684 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL4216773 0.84 CDC25A (0.69) ALDH1A1KMT2ACDC25ACDC25BMAPT
SCHEMBL4200737 0.84 ALDH1A1 (0.73) ALDH1A1KMT2ACDC25ACDC25BMAPT
SCHEMBL6410921 0.83 NPC1 (0.67) ALDH1A1KMT2ACDC25ACDC25BMAPT
SCHEMBL27809458 0.81 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL4210989 0.80 SMN1; SMN2 (0.64) KMT2AMAPTSMN1; SMN2KDM4EPTGES
SCHEMBL4206060 0.80 CDC25A (0.67) ALDH1A1KMT2ACDC25ACDC25BMAPT
SCHEMBL29623117 0.79 CDC25A (0.65) ALDH1A1KMT2ACDC25ACDC25BMAPT
SCHEMBL6404782 0.79 ALDH1A1 (0.69) ALDH1A1KMT2ACDC25ACDC25BMAPT
SCHEMBL29355998 0.77 CDC25A (0.62) ALDH1A1KMT2ACDC25ACDC25BMAPT
SCHEMBL4208096 0.76 SMN1; SMN2 (0.66) ALDH1A1KMT2ACDC25ACDC25BMAPT

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 720/4885KMT2A 2263/4885CDC25A 4123/4885

“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.