SCHEMBL3115779

SCHEMBL3115779

CCCCCn1c(=O)n(CCCCC(=O)NCc2ccccc2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.54
▸ ADORA2B P29275 3/20 0.54
▸ ADORA2A P29274 2/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ EPHX2 P34913 2/20 0.53
▸ MAPT P10636 2/20 0.52
▸ TP53 P04637 4/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ FAAH O00519 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ THRB P10828 1/20 0.47

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
SCHEMBL3116713 0.98 ADORA1 (0.54) ADORA1ADORA2BADORA2AADORA3EPHX2
SCHEMBL3120729 0.95 ADORA2B (0.55) ADORA1ADORA2BADORA2AADORA3EPHX2
SCHEMBL3105820 0.95 ADORA2B (0.53) ADORA1ADORA2BADORA2AADORA3EPHX2
SCHEMBL3115135 0.92 TP53 (0.50) ADORA1ADORA2BADORA2AADORA3EPHX2
SCHEMBL13248141 0.92 TP53 (0.57) MAPTTP53KDM4ERXFP1THRB
SCHEMBL3119780 0.92 TP53 (0.47) ADORA1ADORA2BADORA2AADORA3EPHX2
SCHEMBL13248124 0.91 TP53 (0.59) ADORA1ADORA2BADORA2AADORA3MAPT
SCHEMBL3113105 0.91 TP53 (0.50) ADORA1ADORA2BADORA2AADORA3EPHX2
SCHEMBL3118030 0.91 TP53 (0.52) ADORA1EPHX2MAPTTP53KDM4E
SCHEMBL13248126 0.91 HPGD (0.51) ADORA1ADORA2BADORA2AADORA3MAPT

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 ADORA1 32/4885ADORA2B 111/4885ADORA2A 17/4885

“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.

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