SCHEMBL6788532

SCHEMBL6788532

Nc1nc(Cl)c2ncn([C@@H]3CO[C@@H](COC(=O)c4ccccc4)O3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.41
▸ HINT1 P49773 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ HDAC1 Q13547 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ STING1 Q86WV6 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PNP P00491 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ RPS6KA3 P51812 1/20 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
SCHEMBL5216981 1.00 NT5E (0.41) NT5EHINT1CYP1A2HDAC1LMNA
SCHEMBL9202661 1.00 NT5E (0.41) NT5EHINT1CYP1A2HDAC1LMNA
SCHEMBL5216986 1.00 NT5E (0.41) NT5EHINT1CYP1A2HDAC1LMNA
SCHEMBL5425043 1.00 NT5E (0.41) NT5EHINT1CYP1A2HDAC1LMNA
SCHEMBL14023347 1.00 NT5E (0.41) NT5EHINT1CYP1A2HDAC1LMNA
SCHEMBL5435997 1.00 NT5E (0.41) NT5EHINT1CYP1A2HDAC1LMNA
SCHEMBL14023346 0.93 HINT1 (0.42) HINT1CYP1A2LMNASTING1ALDH1A1
SCHEMBL14581405 0.92 HINT1 (0.49) NT5EHINT1CYP1A2STING1
SCHEMBL5217050 0.90 HINT1 (0.40) HINT1CYP1A2LMNASTING1PNP
SCHEMBL14023348 0.90 HINT1 (0.40) HINT1CYP1A2LMNASTING1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058893-A1 Antiviral nucleoside analogues BIOCHEM PHARMA INC. (CA) 2004-03-25 — — US disclosed
US-20030225037-A1 Method for the treatment or prevention of Flaviviridea viral infection using nucleoside analogues BIOCHEM PHARMA INC. (CA) 2003-12-04 — — US disclosed
EP-1140937-B1 ANTIVIRAL NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC (CA) 2003-11-12 — — EP disclosed
US-6566365-B1 Administering a therapeutically effective amount of nucleoside analog compound for therapy of Flaviviridea viral infection in a host BIOCHEM PHARMA INC. (CA) 2003-05-20 — — US disclosed
US-6358963-B1 FOR THERAPY OF VIRAL INFECTIONS BIOCHEM PHARMA INC. (CA) 2002-03-19 — — US disclosed
US-20010049372-A1 Antiviral nucleoside analogues BIOCHEM PHARMA INC. (CA) 2001-12-06 — — 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-20010049372-A1 Antiviral nucleoside analogues TYMP, SAMHD1, SLC29A1 NT5E 106/4885HINT1 340/4885CYP1A2 1442/4885
US-20030225037-A1 Method for the treatment or prevention of Flaviviridea viral infection using nucleoside analogues ZC3HAV1, ADAR, HAVCR2 NT5E 219/4885HINT1 1304/4885CYP1A2 612/4885
US-20040058893-A1 Antiviral nucleoside analogues TYMP, SAMHD1, SLC29A1 NT5E 106/4885HINT1 340/4885CYP1A2 1442/4885

“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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