SCHEMBL14934170

SCHEMBL14934170

C[C@H](NP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1cccc2ccccc12)C(=O)OCC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.38
▸ ITGB7 P26010 1/20 0.38
▸ ALOX5 P09917 2/20 0.37
▸ PTGES O14684 1/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ BTN3A1 O00481 2/20 0.36

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
SCHEMBL14934182 1.00 ITGA4 (0.38) ITGA4ITGB7ALOX5PTGESMEN1
SCHEMBL18476530 1.00 ITGA4 (0.38) ITGA4ITGB7ALOX5PTGESMEN1
SCHEMBL14934096 0.92 HTT (0.36) ALDH1A1HTTBTN3A1
SCHEMBL30583779 0.90 MEN1 (0.42) ALOX5PTGESMEN1KMT2AALDH1A1
SCHEMBL16258631 0.90 MEN1 (0.42) ALOX5PTGESMEN1KMT2AALDH1A1
SCHEMBL16258629 0.90 MEN1 (0.42) ALOX5PTGESMEN1KMT2AALDH1A1
SCHEMBL30511498 0.89 ALOX5 (0.41) ALOX5PTGESMEN1KMT2AALDH1A1
SCHEMBL23843999 0.89 ALDH1A1 (0.46) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL18476577 0.89 ALDH1A1 (0.46) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL26276734 0.89 ALDH1A1 (0.46) ITGA4ITGB7MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485135-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2025-12-02 — — US disclosed
US-20240350523-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2024-10-24 — — US disclosed
US-11878027-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2024-01-23 — — US disclosed
US-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2023-05-25 — — US disclosed
US-11464796-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2022-10-11 — — US disclosed
US-20140286903-A1 Substituted Purine Nucleosides, Phosphoramidate and Phosphordiamidate Derivatives for Treatment if Viral Infections INHIBITEX, INC. (US) 2014-09-25 — — US disclosed
WO-2013070887-A1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHORAMIDATE AND PHOSPHORDIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS INHIBITEX, INC. (US) 2013-05-16 — — WO disclosed
WO-2013066991-A1 CRYSTALLINE SOLVATES OF NUCLEOSIDE PHOSPHOROAMIDATES, THEIR STEREOSELECTIVE PREPARATION, NOVEL INTERMEDIATES THEREOF, AND THEIR USE IN THE TREATMENT OF VIRAL DISEASE INHIBITEX, INC. (US) 2013-05-10 — — 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 (6 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-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 ITGA4 3379/4885ITGB7 3406/4885ALOX5 1527/4885
US-11464796-B2 Nicotinamide mononucleotide derivatives and their uses NAMPT, NNT, NQO1 ITGA4 3379/4885ITGB7 3406/4885ALOX5 1527/4885
US-20140286903-A1 Substituted Purine Nucleosides, Phosphoramidate and Phosphordiamidate Derivatives for Treatment if Viral Infections PNP, TYMP, SLC29A1 ITGA4 2965/4885ITGB7 3563/4885ALOX5 2020/4885
US-12485135-B2 Nicotinamide mononucleotide derivatives and their uses NAMPT, NNT, NQO1 ITGA4 3379/4885ITGB7 3406/4885ALOX5 1527/4885
US-11878027-B2 Nicotinamide mononucleotide derivatives and their uses NAMPT, NNT, NQO1 ITGA4 3379/4885ITGB7 3406/4885ALOX5 1527/4885
US-20240350523-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 ITGA4 3379/4885ITGB7 3406/4885ALOX5 1527/4885

“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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