SCHEMBL13248123

SCHEMBL13248123

CCCCCn1c(=O)n(CCCCC(=O)NCc2ccccc2Cl)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.57
▸ THRB P10828 3/20 0.57
▸ HTT P42858 1/20 0.54
▸ MAPT P10636 5/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ RXFP1 Q9HBX9 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
SCHEMBL13248136 0.93 TP53 (0.49) TP53THRBHTTMAPTKDM4E
SCHEMBL13248143 0.92 TP53 (0.59) TP53THRBMAPTRXFP1
SCHEMBL3118795 0.91 PCK1 (0.51) TP53THRBMAPT
SCHEMBL3108484 0.91 TP53 (0.51) TP53THRBMAPTKDM4E
SCHEMBL3115779 0.89 ADORA1 (0.54) TP53THRBMAPTKDM4ERXFP1
SCHEMBL3116713 0.87 ADORA1 (0.54) TP53THRBMAPTKDM4ERXFP1
SCHEMBL3105820 0.86 ADORA2B (0.53) TP53MAPTKDM4E
SCHEMBL3115463 0.86 KDM4E (0.51) TP53HTTKDM4E
SCHEMBL3110056 0.85 LMNA (0.48) TP53THRBMAPTRXFP1
SCHEMBL3123842 0.85 TP53 (0.48) TP53THRBMAPT

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 2 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

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 4012/4885THRB 284/4885HTT 1879/4885

“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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