SCHEMBL7559639

SCHEMBL7559639

Cn1c(=O)n(CCCCCC(C)(C)O)c(=O)c2c1ncn2Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
HIF1A Q16665 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.61
ADORA2B P29275 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
PDE1A P54750 1/20 0.54
PDE1B Q01064 1/20 0.54
PDE1C Q14123 1/20 0.54
ABCC8 Q09428 1/20 0.53
KCNJ11 Q14654 1/20 0.53
GLA P06280 1/20 0.50
HTT P42858 1/20 0.50
UBE2N P61088 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.50
CNOT7 Q9UIV1 5/20 0.49
LMNA P02545 2/20 0.49
ESR1 P03372 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL10346505 0.99 POLB (0.69) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL7562065 0.96 POLB (0.71) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL7559268 0.92 POLB (0.73) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL9054273 0.91 ALDH1A1 (0.58) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL7563991 0.90 POLB (0.66) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL7561563 0.89 POLB (0.55) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL7565001 0.86 POLB (0.71) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL10346307 0.86 LMNA (0.61) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL7561501 0.86 POLB (0.56) POLBHIF1ASMN1; SMN2ADORA2BRXFP1
SCHEMBL2793931 0.84 POLB (0.75) POLBHIF1ASMN1; SMN2ADORA2BRXFP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1098686-C Use of xanthine derivatives for reducing the pathological hyper-reactivity of eosinophilic granulocytes, novel xanthine compounds and process for producing them AVENTIS HARMACEUTICAL DEUTSCHE (DE) 2003-01-15 CN disclosed
US-20020010333-A1 Use of xanthine derivatives for reducing the pathological hyperreactivity of eosinophilic granulocytes, novel xanthine compounds and process for their preparation HOECHST AKTIENGESELLSCHAFT 2002-01-24 US disclosed
CN-1145029-A Use of xanthine derivatives for reducing the pathological hyperreactivity of eosinophils, xanthine compounds and process for their preparation HOECHST AG (DE) 1997-03-12 CN disclosed
EP-0758239-A1 USE OF XANTHINE DERIVATIVES FOR REDUCING THE PATHOLOGICAL HYPER-REACTIVITY OF EOSINOPHILIC GRANULOCYTES, NOVEL XANTHINE COMPOUNDS AND PROCESS FOR PRODUCING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-19 EP disclosed
WO-1995026727-A1 USE OF XANTHINE DERIVATIVES FOR REDUCING THE PATHOLOGICAL HYPER-REACTIVITY OF EOSINOPHILIC GRANULOCYTES, NOVEL XANTHINE COMPOUNDS AND PROCESS FOR PRODUCING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-12 WO 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-20020010333-A1 Use of xanthine derivatives for reducing the pathological hyperreactivity of eosinophilic granulocytes, novel xanthine compounds and process for their preparation EPX, XDH, MPO POLB 2681/4885HIF1A 2305/4885SMN1; SMN2 3274/4885

“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.