SCHEMBL17794461

SCHEMBL17794461

CCCCO[C@@H]1[C@H](OC)OC(CO)C(O)[C@H]1N=[N+]=[N-]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ CD209 Q9NNX6 1/20 0.37
▸ LGALS8 O00214 5/20 0.36
▸ GJB2 P29033 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ LGALS3 P17931 1/20 0.33
▸ LGALS4 P56470 1/20 0.33
▸ GBA1 P04062 1/20 0.33

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
SCHEMBL13772551 1.00 TNF (0.40) TNFMAPK1CD209LGALS8GJB2
SCHEMBL13772552 1.00 TNF (0.40) TNFMAPK1CD209LGALS8GJB2
SCHEMBL15267653 1.00 TNF (0.40) TNFMAPK1CD209LGALS8GJB2
SCHEMBL17794462 1.00 TNF (0.40) TNFMAPK1CD209LGALS8GJB2
SCHEMBL15267655 1.00 TNF (0.40) TNFMAPK1CD209LGALS8GJB2
SCHEMBL13806499 0.91 TNF (0.40) TNFMAPK1CD209LGALS8GJB2
SCHEMBL14817730 0.91 TNF (0.40) TNFMAPK1CD209LGALS8GJB2
SCHEMBL15296514 0.91 TNF (0.40) TNFMAPK1CD209LGALS8GJB2
SCHEMBL14900306 0.91 TNF (0.40) TNFMAPK1CD209LGALS8GJB2
SCHEMBL15296532 0.85 TNF (0.35) TNFMAPK1LGALS8GJB2LGALS3

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-20160152653-A1 NOVEL AMINOGLYCOSIDE ANTIBIOTICS MEIJI SEIKA PHARMA CO LTD (JP) 2016-06-02 — — 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-20160152653-A1 NOVEL AMINOGLYCOSIDE ANTIBIOTICS ATP6V1B1, REN, NRDC TNF 456/4885MAPK1 1801/4885CD209 4155/4885

“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.

Send feedback