SCHEMBL23982201

SCHEMBL23982201

OCC1O[C@@H](n2cnc3cc(Cl)c(Cl)cc32)C[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
PDE4D Q08499 1/20 0.54
PDE3A Q14432 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
PIM1 P11309 1/20 0.53
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53
ADRB1 P08588 1/20 0.53
DNMT1 P26358 1/20 0.53
HIF1A Q16665 1/20 0.49
ADA P00813 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 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
SCHEMBL21637041 1.00 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL26298186 0.89 THRB (0.43) PNPLMNATP53HTTPDE4D
SCHEMBL12464513 0.86 PIM1 (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL14211498 0.86 PIM1 (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL18025637 0.86 PIM1 (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL14211485 0.81 PIM1 (0.50) PNPLMNATP53HTTPDE4D
SCHEMBL9126597 0.81 PIM1 (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL9126599 0.81 PIM1 (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL6947615 0.80 THRB (0.40) PNPLMNATP53HTTPDE4D
SCHEMBL6947613 0.80 THRB (0.40) 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-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-11-04 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-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK PER2, CRY1, ADORA2A PNP 16/4885LMNA 2993/4885TP53 4641/4885

“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.