SCHEMBL14428355

SCHEMBL14428355

NCCCCCCNc1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.44
NPY5R Q15761 1/20 0.44
IDO1 P14902 2/20 0.41
ACHE P22303 5/20 0.41
PRKCQ Q04759 2/20 0.37

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
SCHEMBL14428353 0.86 KCNH3 (0.47) IDO1ACHE
SCHEMBL14428372 0.85 BCHE (0.38) NPY1RNPY5RIDO1ACHE
SCHEMBL6676039 0.83 RAD52 (0.48) IDO1
SCHEMBL6679140 0.81 IDO1 (0.38) IDO1ACHE
SCHEMBL6679500 0.81 KCNH3 (0.36) NPY1RNPY5RIDO1ACHE
SCHEMBL6365368 0.80 POLB (0.49)
SCHEMBL6673718 0.80 IDO1 (0.40) IDO1ACHE
SCHEMBL6675510 0.80 RAD52 (0.51)
SCHEMBL5456625 0.78 IDO1 (0.48) IDO1ACHE
SCHEMBL5450923 0.77 IDO1 (0.46) IDO1ACHE

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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 NPY1R 1947/4885NPY5R 1981/4885IDO1 924/4885

“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.