SCHEMBL1065981

SCHEMBL1065981

Cn1c(N)nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O.NP(O)O

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.58
LMNA P02545 1/20 0.57
NT5E P21589 1/20 0.57
HIF1A Q16665 1/20 0.57
ADORA2A P29274 5/20 0.57
ADORA3 P0DMS8 3/20 0.57
ADORA2B P29275 3/20 0.57
ADORA1 P30542 2/20 0.57
CYP1A2 P05177 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL14929125 0.96 CYP2C19 (0.62) CYP2C19LMNANT5EHIF1AADORA2A
SCHEMBL62505 0.96 CYP2C19 (0.62) CYP2C19LMNANT5EHIF1AADORA2A
SCHEMBL14931005 0.96 CYP2C19 (0.62) CYP2C19LMNANT5EHIF1AADORA2A
SCHEMBL18512921 0.96 CYP2C19 (0.62) CYP2C19LMNANT5EHIF1AADORA2A
SCHEMBL343478 0.96 CYP2C19 (0.62) CYP2C19LMNANT5EHIF1AADORA2A
SCHEMBL18844803 0.96 CYP2C19 (0.62) CYP2C19LMNANT5EHIF1AADORA2A
SCHEMBL25101160 0.95 CYP2C19 (0.61) CYP2C19LMNANT5EHIF1AADORA2A
Hydrochloric Acid SCHEMBL5972606 0.95 CYP2C19 (0.61) CYP2C19LMNANT5EHIF1AADORA2A
SCHEMBL29388779 0.95 CYP2C19 (0.61) CYP2C19LMNANT5EHIF1AADORA2A
Phosphoric Acid SCHEMBL5747244 0.92 CYP2C19 (0.58) CYP2C19LMNANT5EHIF1AADORA2A

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-20110021748-A1 Non-Natural Peptides as Models for the Development of Antibiotics WAYNE STATE UNIVERSITY (US) 2011-01-27 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-20110021748-A1 Non-Natural Peptides as Models for the Development of Antibiotics MRPL21, SPOUT1, EMG1 CYP2C19 4861/4885LMNA 2736/4885NT5E 3034/4885

“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.