SCHEMBL20582504

SCHEMBL20582504

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 7/20 0.41
▸ MGAM O43451 4/20 0.36
▸ SI P14410 4/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ G6PD P11413 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
SCHEMBL27175327 0.95 LGALS8 (0.40) LGALS8MGAMSIGAAALDH1A1
SCHEMBL15267647 0.92 LGALS8 (0.43) LGALS8MGAMSIGAAALDH1A1
SCHEMBL13772540 0.92 LGALS8 (0.43) LGALS8MGAMSIGAAALDH1A1
SCHEMBL16504207 0.86 LGALS8 (0.43) LGALS8GAAALDH1A1HIF1A
SCHEMBL14864297 0.86 LGALS8 (0.43) LGALS8GAAALDH1A1HIF1A
SCHEMBL23723836 0.86 LGALS8 (0.43) LGALS8GAAALDH1A1HIF1A
SCHEMBL13482776 0.86 LGALS8 (0.43) LGALS8GAAALDH1A1HIF1A
SCHEMBL17256295 0.86 LGALS8 (0.43) LGALS8GAAALDH1A1HIF1A
SCHEMBL18723048 0.86 LGALS8 (0.43) LGALS8GAAALDH1A1HIF1A
SCHEMBL20033536 0.86 LGALS8 (0.43) LGALS8GAAALDH1A1HIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157138-A1 NICOTINAMIDE ADENINE DINUCLEOTIDE ANALOGUES UNIVERSITY OF SOUTHERN CALIFORNIA 2020-05-21 — — US disclosed
WO-2018227168-A1 NICOTINAMIDE ADENINE DINUCLEOTIDE ANALOGUES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2018-12-13 — — WO 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-20200157138-A1 NICOTINAMIDE ADENINE DINUCLEOTIDE ANALOGUES NAMPT, NNT, NNMT LGALS8 3581/4885MGAM 3208/4885SI 1098/4885

“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.

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