SCHEMBL20953407

SCHEMBL20953407

O=C(c1ccc([N+](=O)[O-])cc1)c1cnc(N[C@@H]2C[C@@H](O)C(O)C(CO)O2)s1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 1/20 0.41
▸ MAPK13 O15264 2/20 0.37
▸ MAPK12 P53778 2/20 0.37
▸ MAPK11 Q15759 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ PRNP P04156 1/20 0.35
▸ HK1 P19367 1/20 0.35
▸ HK2 P52789 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL20953447 0.87 CFTR (0.41) LGALS3MAPK13MAPK12MAPK11MAPK14
SCHEMBL20953434 0.87 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL16946211 0.84 TSHR (0.44) LGALS3
SCHEMBL16941671 0.84 TSHR (0.44) LGALS3
SCHEMBL15436011 0.84 TSHR (0.44) LGALS3
SCHEMBL15436010 0.84 TSHR (0.44) LGALS3
SCHEMBL15445169 0.84 TSHR (0.44) LGALS3
SCHEMBL20953462 0.82 MAPK13 (0.35) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL20953449 0.82 LGALS9 (0.41) LGALS3MAPK13MAPK12MAPK11MAPK14
SCHEMBL20953419 0.79 ABL1 (0.36) MAPK13MAPK12MAPK11MAPK14MAPT

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-10273313-B2 Multimeric mannosides, a process for preparing the same and their uses as a drug CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-04-30 — — 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-10273313-B2 Multimeric mannosides, a process for preparing the same and their uses as a drug MANBA, MAN2A1, MAN2B2 LGALS3 114/4885MAPK13 1552/4885MAPK12 1831/4885

“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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