SCHEMBL18022450

SCHEMBL18022450

Cc1nc2c(ncn2[C@@H]2O[C@@](CI)(N=[N+]=[N-])[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.42
▸ IMPDH2 P12268 6/20 0.39
▸ IMPDH1 P20839 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ HINT1 P49773 1/20 0.36
▸ NT5E P21589 1/20 0.36
▸ PAX8 Q06710 1/20 0.35
▸ STING1 Q86WV6 1/20 0.35
▸ TGM2 P21980 1/20 0.34

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
SCHEMBL18022452 0.91 HPGD (0.39) HPGDIMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL16368022 0.83 POLRMT (0.47) IMPDH2IMPDH1TAS1R3TAS1R1ADORA3
SCHEMBL18022453 0.81 HINT1 (0.49) ADORA3HINT1NT5ESTING1TGM2
SCHEMBL16214160 0.80 ADORA3 (0.52) HPGDADORA3HINT1NT5ESTING1
SCHEMBL15798626 0.80 ADORA3 (0.52) HPGDADORA3HINT1NT5ESTING1
SCHEMBL13523557 0.80 ADORA3 (0.52) HPGDADORA3HINT1NT5ESTING1
SCHEMBL16214156 0.78 ADORA3 (0.35) HPGDIMPDH2IMPDH1TAS1R3TAS1R1
Phosphoric Acid SCHEMBL21465165 0.78 NT5E (0.50) ADORA3HINT1NT5ESTING1TGM2
SCHEMBL16214131 0.78 TYMP (0.42) HPGDIMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL16214071 0.77 — —

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 HPGD 2775/4885IMPDH2 162/4885IMPDH1 62/4885

“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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