SCHEMBL16787423

SCHEMBL16787423

Cc1nc2c(ncn2[C@@H]2O[C@H](CN=[N+]=[N-])C(NCc3ccccc3)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 1/20 0.49
▸ AHCY P23526 1/20 0.43
▸ IMPDH2 P12268 2/20 0.42
▸ ADORA3 P0DMS8 3/20 0.42
▸ NT5E P21589 6/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ IMPDH1 P20839 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL16787413 0.84 AHCY (0.59) HINT1AHCYIMPDH2ADORA3NT5E
SCHEMBL16787417 0.82 AHCY (0.49) HINT1AHCYIMPDH2ADORA3NT5E
SCHEMBL16787420 0.82 AHCY (0.52) HINT1AHCYIMPDH2ADORA3NT5E
SCHEMBL19927503 0.80 AHCY (0.69) AHCYADORA3
SCHEMBL16787418 0.78 KMT2A (0.40) HINT1AHCYIMPDH2ADORA3NT5E
SCHEMBL19146059 0.78 HINT1 (0.66) HINT1ADORA3NT5EHPGDTAAR1
SCHEMBL16822303 0.75 HINT1 (0.48) HINT1IMPDH2ADORA3HPGD
SCHEMBL16822302 0.75 HINT1 (0.48) HINT1IMPDH2ADORA3HPGD
SCHEMBL16840864 0.75 HINT1 (0.48) HINT1IMPDH2ADORA3HPGD
SCHEMBL19035636 0.75 HINT1 (0.48) HINT1IMPDH2ADORA3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315523-B2 Cyclic dinucleosides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-04-19 — — US disclosed
US-20150158886-A1 CYCLIC DINUCLEOSIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-06-11 — — 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-20150158886-A1 CYCLIC DINUCLEOSIDES POLN, DUT, DDX21 HINT1 704/4885AHCY 4671/4885IMPDH2 197/4885

“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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