SCHEMBL34560

SCHEMBL34560

Nc1nc(OCCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H](OC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@]3(O)F)c2n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.39
SLC29A1 Q99808 3/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TYMP P19971 6/20 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
SCHEMBL36135 0.82 SLC29A1 (0.41) NT5ESLC29A1TYMP
SCHEMBL34796 0.77 TYMP (0.49) NT5EHPGDTYMP
SCHEMBL36555 0.74 SLC29A1 (0.48) NT5ESLC29A1TYMP
SCHEMBL20769890 0.71 SLC29A1 (0.71) SLC29A1LMNARAB9ACYP3A4PKM
SCHEMBL20691302 0.70 SLC29A1 (0.64) NT5ESLC29A1LMNARAB9ACYP3A4
SCHEMBL31160245 0.70 SLC29A1 (0.64) SLC29A1LMNARAB9ACYP3A4PKM
SCHEMBL8595980 0.69 SLC29A1 (0.59) SLC29A1LMNARAB9ACYP3A4PKM
SCHEMBL16188785 0.69 TYMP (0.51) NT5ETYMP
SCHEMBL20692028 0.69 SLC29A1 (0.47) SLC29A1LMNARAB9ACYP3A4PKM
SCHEMBL22349178 0.68 LMNA (0.54) NT5ESLC29A1LMNARAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210187133-A1 Compounds and Methods of Making Compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-06-24 US disclosed
US-20150118157-A1 Compounds and Methods of Making Compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-04-30 US disclosed
US-9011817-B2 Compounds and methods of making compounds THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-04-21 US disclosed
US-20110059014-A1 COMPOUNDS AND METHODS OF MAKING COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-10 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 (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-20150118157-A1 Compounds and Methods of Making Compounds MCL1, TOP2B, TOP1 NT5E 3197/4885SLC29A1 766/4885LMNA 1865/4885
US-20210187133-A1 Compounds and Methods of Making Compounds MCL1, TOP1, TOP2B NT5E 3428/4885SLC29A1 793/4885LMNA 1865/4885
US-20110059014-A1 COMPOUNDS AND METHODS OF MAKING COMPOUNDS MCL1, TOP2B, TOP1 NT5E 3197/4885SLC29A1 766/4885LMNA 1865/4885

“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.