SCHEMBL17017084

SCHEMBL17017084

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c1ncn2C1CCCCO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.54
▸ NFKB1 P19838 2/20 0.49
▸ BLM P54132 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ PI4KA P42356 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ADCY1 Q08828 1/20 0.49
▸ PI4K2B Q8TCG2 1/20 0.49
▸ PI4K2A Q9BTU6 1/20 0.49
▸ PI4KB Q9UBF8 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CYP1A2 P05177 3/20 0.43

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
SCHEMBL1001853 0.81 CYP2C19 (0.48) CYP2C19NFKB1BLMTP53CYP2C9
SCHEMBL18571622 0.80 ALDH1A1 (0.50) MAPK1ALDH1A1CYP1A2ADORA1
SCHEMBL22799584 0.80 ALDH1A1 (0.50) MAPK1ALDH1A1CYP1A2ADORA1
SCHEMBL17009435 0.80 CYP2C19 (0.54) CYP2C19NFKB1BLMTP53CYP2C9
SCHEMBL20322870 0.78 CYP2C19 (0.56) CYP2C19NFKB1BLMTP53CYP2C9
SCHEMBL889648 0.77 HIF1A (0.49) —
SCHEMBL889682 0.77 HIF1A (0.59) —
SCHEMBL20323065 0.76 CYP2C19 (0.52) CYP2C19NFKB1BLMTP53CYP2C9
SCHEMBL1002031 0.76 CYP2C19 (0.49) CYP2C19NFKB1BLMTP53CYP2C9
SCHEMBL12775475 0.75 CYP2C19 (0.67) CYP2C19NFKB1BLMTP53CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease MITOKININ LLC (US) 2020-12-01 — — US disclosed
US-10167286-B2 Compositions and methods using the same for treatment of neurodegenerative and mitochondrial disease MITOKININ, INC. (US) 2019-01-01 — — US disclosed
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin, LLC (US) 2017-07-06 — — US disclosed
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin, LLC (US) 2017-07-06 — — US disclosed
WO-2015123365-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ LLC (US) 2015-08-20 — — 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 (3 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-10167286-B2 Compositions and methods using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A CYP2C19 1290/4885NFKB1 2656/4885BLM 576/4885
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A CYP2C19 1436/4885NFKB1 2906/4885BLM 759/4885
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, MT-ND2 CYP2C19 4071/4885NFKB1 3815/4885BLM 1782/4885

“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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