SCHEMBL7564102

SCHEMBL7564102

CCn1c(=O)n(CCCCC(C)=O)c(=O)c2c1ncn2Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 2/20 0.60
NFKB1 P19838 2/20 0.60
ACHE P22303 2/20 0.60
PMP22 Q01453 2/20 0.60
ESR1 P03372 1/20 0.60
MAPT P10636 1/20 0.60
BLM P54132 1/20 0.60
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.56
HIF1A Q16665 1/20 0.56
ADORA2B P29275 3/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
ADORA2A P29274 1/20 0.55
KMT2A Q03164 3/20 0.55
CNOT7 Q9UIV1 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54

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
SCHEMBL7567218 0.97 ALDH1A1 (0.58) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7558870 0.90 LMNA (0.71) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL4298923 0.87 PDE4A (0.69) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7558655 0.86 POLB (0.72) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7793146 0.85 PDE4A (0.81) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7561563 0.85 POLB (0.55) PDE4AALDH1A1POLBHIF1AADORA2B
SCHEMBL555093 0.84 ALDH1A1 (0.65) LMNAALDH1A1POLBHIF1AADORA2B
SCHEMBL3186736 0.84 CNOT7 (0.61) PDE4AALDH1A1POLBHIF1AADORA2B
SCHEMBL7561501 0.84 POLB (0.56) PDE4AALDH1A1POLBHIF1AADORA2B
SCHEMBL1946890 0.84 POLB (0.67) PDE4AALDH1A1POLBHIF1AADORA2B

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-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
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 PDE4A 74/4885LMNA 2835/4885CYP1A2 334/4885

“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.