SCHEMBL3105619

SCHEMBL3105619

CCCCCn1c(=O)n(CCCCC(=O)NCc2cccnc2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.53
▸ FAAH O00519 2/20 0.53
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ADORA1 P30542 3/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ ADORA2B P29275 2/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL3115779 0.90 ADORA1 (0.54) GAAFAAHMAPTKDM4EALDH1A1
SCHEMBL3119780 0.90 TP53 (0.47) MAPTKDM4EALDH1A1ADORA1ADORA2A
SCHEMBL3116713 0.89 ADORA1 (0.54) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL3113105 0.87 TP53 (0.50) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL13248124 0.87 TP53 (0.59) MAPTKDM4EADORA1ADORA2AADORA2B
SCHEMBL3114338 0.86 TP53 (0.52) MAPTKDM4EALDH1A1HSD17B10ADORA1
SCHEMBL13248134 0.86 TP53 (0.49) MAPTADORA1ADORA2AADORA2BADORA3
SCHEMBL13248141 0.86 TP53 (0.57) MAPTKDM4EL3MBTL1HSD17B10TP53
SCHEMBL3120729 0.86 ADORA2B (0.55) MAPTKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL3120061 0.86 TP53 (0.49) MAPTKDM4EADORA1ADORA2AADORA2B

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 GAA 940/4885FAAH 1290/4885MAPT 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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