SCHEMBL1152822

SCHEMBL1152822

Nc1ncn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)n1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.71
DNMT1 P26358 1/20 0.71
POLB P06746 3/20 0.59
NT5E P21589 1/20 0.55
TYMS P04818 2/20 0.52
ENPP1 P22413 1/20 0.48
P2RY1 P47900 1/20 0.48

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
SCHEMBL1152753 0.90 ADRB1 (0.64) ADRB1DNMT1POLBNT5EENPP1
SCHEMBL3075710 0.90 ADRB1 (0.64) ADRB1DNMT1POLBNT5EENPP1
SCHEMBL19283452 0.87 DNMT1 (0.76) ADRB1DNMT1POLBNT5EENPP1
Decitabine SCHEMBL3396534 0.86 DNMT1 (0.91) ADRB1DNMT1POLBNT5E
SCHEMBL16366026 0.86 DNMT1 (0.74) ADRB1DNMT1POLBNT5EENPP1
Decitabine SCHEMBL459668 0.86 DNMT1 (0.91) ADRB1DNMT1POLBNT5E
SCHEMBL10064225 0.86 DNMT1 (0.74) ADRB1DNMT1POLBNT5EENPP1
SCHEMBL5076376 0.85 DNMT1 (0.73) ADRB1DNMT1POLBNT5EENPP1
SCHEMBL12746576 0.85 DNMT1 (0.66) ADRB1DNMT1POLBNT5ETYMS
SCHEMBL23152696 0.84 DNMT1 (0.71) ADRB1DNMT1POLBNT5EENPP1

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-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 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 (2 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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS ADRB1 2147/4885DNMT1 2586/4885POLB 1168/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS ADRB1 2147/4885DNMT1 2586/4885POLB 1168/4885

“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.