SCHEMBL3118795

SCHEMBL3118795

CCCCCn1c(=O)n(CCCCC(=O)NCc2ccccc2F)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PCK1 P35558 5/20 0.51
▸ THRB P10828 3/20 0.50
▸ TP53 P04637 4/20 0.47
▸ ADORA1 P30542 2/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ MAPT P10636 3/20 0.45

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
SCHEMBL13248123 0.91 TP53 (0.57) THRBTP53MAPT
SCHEMBL13248143 0.90 TP53 (0.59) THRBTP53MAPT
SCHEMBL3108484 0.89 TP53 (0.51) THRBTP53MAPT
SCHEMBL13248136 0.88 TP53 (0.49) THRBTP53MAPT
SCHEMBL3115779 0.88 ADORA1 (0.54) THRBTP53ADORA1ADORA2AADORA2B
SCHEMBL13248182 0.87 PCK1 (0.49) PCK1THRBTP53ADORA1ADORA2A
SCHEMBL13248126 0.86 HPGD (0.51) THRBTP53ADORA1ADORA2AADORA2B
SCHEMBL3116713 0.86 ADORA1 (0.54) THRBTP53ADORA1ADORA2AADORA2B
SCHEMBL13248133 0.85 ADORA1 (0.49) THRBTP53ADORA1ADORA2AADORA2B
SCHEMBL13248135 0.85 RXFP1 (0.51) THRBTP53ADORA1ADORA2AADORA2B

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 1 patent. 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

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 PCK1 2050/4885THRB 284/4885TP53 4012/4885

“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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