SCHEMBL18022453

SCHEMBL18022453

CC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 4/20 0.49
▸ NT5E P21589 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.46
▸ STING1 Q86WV6 5/20 0.45
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ TGM2 P21980 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ GSK3A P49840 2/20 0.43
▸ RPS6KA3 P51812 2/20 0.43
▸ MAPK14 Q16539 2/20 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
SCHEMBL16214160 0.92 ADORA3 (0.52) HINT1NT5EADORA3STING1PDE3B
SCHEMBL13523557 0.92 ADORA3 (0.52) HINT1NT5EADORA3STING1PDE3B
SCHEMBL15798626 0.92 ADORA3 (0.52) HINT1NT5EADORA3STING1PDE3B
SCHEMBL18022446 0.91 HINT1 (0.46) HINT1NT5EADORA3STING1PDE3B
Phosphoric Acid SCHEMBL21465165 0.89 NT5E (0.50) HINT1NT5EADORA3STING1PDE3B
SCHEMBL16305900 0.85 ADORA3 (0.49) HINT1NT5EADORA3STING1PDE3B
SCHEMBL16292038 0.85 ADORA3 (0.49) HINT1NT5EADORA3STING1PDE3B
SCHEMBL19590283 0.83 TGM2 (0.51) NT5ESTING1PDE3BPDE3ATGM2
SCHEMBL16368338 0.83 TGM2 (0.51) NT5ESTING1PDE3BPDE3ATGM2
SCHEMBL16214186 0.83 TGM2 (0.51) NT5ESTING1PDE3BPDE3ATGM2

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-20160237106-A1 4'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF EBOLA VIRUS RNA REPLICATION RIBOSCIENCE LLC (US) 2016-08-18 — — 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-20160237106-A1 4'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF EBOLA VIRUS RNA REPLICATION RNMT, RNGTT, EIF2AK2 HINT1 1490/4885NT5E 588/4885ADORA3 342/4885

“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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