SCHEMBL17521209

SCHEMBL17521209

Cc1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)n1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ HIF1A Q16665 1/20 0.56
▸ ADRB1 P08588 1/20 0.55
▸ DNMT1 P26358 1/20 0.55
▸ PIM1 P11309 1/20 0.52
▸ CSNK2A2 P19784 1/20 0.52
▸ CSNK2B P67870 1/20 0.52
▸ CSNK2A1 P68400 1/20 0.52
▸ CSNK2A3 Q8NEV1 1/20 0.52
▸ POLA1 P09884 1/20 0.50

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
SCHEMBL7199411 0.88 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL23647921 0.88 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL17521212 0.88 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL3707304 0.88 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL31685677 0.86 PNP (0.55) PNPLMNATP53HTTPDE4D
SCHEMBL31685596 0.86 PNP (0.55) PNPLMNATP53HTTPDE4D
SCHEMBL31685345 0.83 HIF1A (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL31685514 0.82 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL31685816 0.81 PIM1 (0.55) PNPLMNATP53HTTPDE4D
SCHEMBL20165850 0.80 PNP (0.64) PNPLMNATP53HTTPDE4D

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-20160039859-A1 Novel NNA-DNA Adducts as Biomarkers for Detecting Exposure to Thirdhand Smoke THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-11 — — 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-20160039859-A1 Novel NNA-DNA Adducts as Biomarkers for Detecting Exposure to Thirdhand Smoke OGG1, DNASE1L3, DDB1 PNP 3530/4885LMNA 1833/4885TP53 833/4885

“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.

Send feedback