SCHEMBL3121568

SCHEMBL3121568

CCCCCn1c(=O)n(CCCCC(=O)NCc2cccc(Br)c2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ THRB P10828 1/20 0.46
▸ ADORA1 P30542 3/20 0.44
▸ ADORA2B P29275 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ EPHX2 P34913 2/20 0.42

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
SCHEMBL13248124 0.92 TP53 (0.59) TP53RXFP1MAPTTHRBADORA1
SCHEMBL3113105 0.92 TP53 (0.50) TP53MAPTTHRBADORA1ADORA2B
SCHEMBL3114338 0.91 TP53 (0.52) TP53RXFP1MAPTTHRBADORA1
SCHEMBL13248134 0.91 TP53 (0.49) TP53MAPTTHRBADORA1ADORA2B
SCHEMBL13248135 0.90 RXFP1 (0.51) TP53RXFP1MAPTTHRBADORA1
SCHEMBL3120061 0.90 TP53 (0.49) TP53RXFP1MAPTTHRBADORA1
SCHEMBL3115779 0.90 ADORA1 (0.54) TP53RXFP1MAPTTHRBADORA1
SCHEMBL3115135 0.89 TP53 (0.50) TP53MAPTTHRBADORA1ADORA2B
SCHEMBL13248128 0.89 EPHX2 (0.59) TP53MAPTADORA1ADORA2BADORA3
SCHEMBL3106381 0.89 TP53 (0.47) TP53MAPTTHRBADORA1ADORA2B

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 TP53 4012/4885RXFP1 297/4885MAPT 4059/4885

“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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