SCHEMBL3119443

SCHEMBL3119443

CCCCn1c(=O)n(CCCCn2c(=O)c3[nH]c(Cl)nc3n(CCCC)c2=O)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.54
SIRT3 Q9NTG7 1/20 0.54
SIRT5 Q9NXA8 1/20 0.54
ADORA1 P30542 4/20 0.52
ADORA2A P29274 2/20 0.52
ADORA2B P29275 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51

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
SCHEMBL13247926 0.99 ADORA2B (0.53) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL13247927 0.99 ADORA2B (0.53) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL7031457 0.98 SIRT1 (0.55) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL3121598 0.93 ADORA1 (0.53) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL3179805 0.93 SIRT1 (0.54) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL3121149 0.92 ADORA1 (0.52) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL3115381 0.91 ADORA2B (0.49) SIRT1SIRT3SIRT5ADORA1ADORA2B
SCHEMBL3114983 0.91 ADORA1 (0.53) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL13247661 0.91 ADORA2B (0.49) SIRT1SIRT3SIRT5ADORA1ADORA2A
SCHEMBL3118540 0.91 ADORA2B (0.49) SIRT1SIRT3SIRT5ADORA1ADORA2A

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-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 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-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 SIRT1 1684/4885SIRT3 3279/4885SIRT5 2456/4885

“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.