SCHEMBL6789430

SCHEMBL6789430

COC(=O)c1ccnc([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
SLC5A2 P31639 4/20 0.44
SLC5A1 P13866 1/20 0.42
ALDH1A1 P00352 1/20 0.42
JMJD6 Q6NYC1 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
SCHEMBL6789884 1.00 KDM4E (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL6790556 0.84 UMPS (0.44) KDM4ESLC5A2ALDH1A1
SCHEMBL12693897 0.84 UMPS (0.44) KDM4ESLC5A2ALDH1A1
SCHEMBL13514156 0.84 UMPS (0.44) KDM4ESLC5A2ALDH1A1
SCHEMBL12691584 0.84 UMPS (0.44) KDM4ESLC5A2ALDH1A1
SCHEMBL6931518 0.84 UMPS (0.44) KDM4ESLC5A2ALDH1A1
SCHEMBL4270606 0.84 UMPS (0.44) KDM4ESLC5A2ALDH1A1
SCHEMBL6789670 0.81 MAPK1 (0.44) KDM4ESLC5A2
SCHEMBL6788896 0.81 MAPK1 (0.44) KDM4ESLC5A2
SCHEMBL6785286 0.81 MAPK1 (0.44) KDM4ESLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266723-A1 Antiviral agents for treatment of Flaviviridae infections PHARMASSET, INC. 2004-12-30 US disclosed
EP-1366055-A2 ANTIVIRAL AGENTS FOR TREATMENT OF FLAVIVIRIDAE INFECTIONS Pharmasset Limited (BB) 2003-12-03 EP disclosed
WO-2002048165-A2 ANTIVIRAL AGENTS FOR TREATMENT OF FLAVIVIRIDAE INFECTIONS PHARMASSET LTD. (BB) 2002-06-20 WO 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-20040266723-A1 Antiviral agents for treatment of Flaviviridae infections HAVCR2, MAVS, EIF2AK2 KDM4E 1744/4885KDM6B 1593/4885KDM5C 2078/4885

“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.