SCHEMBL36555

SCHEMBL36555

CC(=O)Nc1nc(OCCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@@H](OC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@H]3OC(c3ccccc3)(c3ccccc3)c3ccccc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 8/20 0.48
ACHE P22303 4/20 0.42
NT5E P21589 1/20 0.40
TYMP P19971 6/20 0.40
BCHE P06276 1/20 0.37

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 0.86 SLC29A1 (0.41) SLC29A1ACHENT5ETYMP
SCHEMBL34996 0.79 SLC29A1 (0.73) SLC29A1
SCHEMBL9231628 0.79 TYMP (0.43) SLC29A1NT5ETYMP
SCHEMBL8611454 0.77 TYMP (0.52) ACHENT5ETYMP
SCHEMBL8610091 0.77 TYMP (0.52) ACHENT5ETYMP
SCHEMBL8609425 0.76 ACHE (0.49) ACHENT5ETYMP
SCHEMBL8609430 0.76 ACHE (0.49) ACHENT5ETYMP
SCHEMBL34560 0.74 NT5E (0.39) SLC29A1NT5ETYMP
SCHEMBL16656447 0.73 SLC29A1 (0.45) SLC29A1
SCHEMBL8612172 0.72 TYMP (0.61) ACHENT5ETYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309833-A1 METHODS AND MATERIALS FOR USING [18F]-F-ARAG IN CARDIAC IMAGING CELLSIGHT TECHNOLOGIES INC. (US) 2023-10-05 US disclosed
EP-4188453-A1 METHODS AND MATERIALS FOR USING [18F]-F-ARAG IN CARDIAC IMAGING Cellsight Technologies Inc. (US) 2023-06-07 EP disclosed
WO-2022026533-A1 METHODS AND MATERIALS FOR USING [18F]-F-ARAG IN CARDIAC IMAGING CELLSIGHT TECHNOLOGIES INC. (US) 2022-02-03 WO disclosed
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 SLC29A1 766/4885ACHE 999/4885NT5E 3197/4885
US-20210187133-A1 Compounds and Methods of Making Compounds MCL1, TOP1, TOP2B SLC29A1 793/4885ACHE 1144/4885NT5E 3428/4885
US-20110059014-A1 COMPOUNDS AND METHODS OF MAKING COMPOUNDS MCL1, TOP2B, TOP1 SLC29A1 766/4885ACHE 999/4885NT5E 3197/4885

“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.