SCHEMBL7558870

SCHEMBL7558870

CC(=O)CCCCn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
CYP1A2 P05177 2/20 0.71
NFKB1 P19838 2/20 0.71
ACHE P22303 2/20 0.71
PDE4A P27815 2/20 0.71
PMP22 Q01453 2/20 0.71
ESR1 P03372 1/20 0.71
MAPT P10636 1/20 0.71
BLM P54132 1/20 0.71
POLB P06746 1/20 0.71
HIF1A Q16665 1/20 0.71
SMN1; SMN2 Q16637 4/20 0.67
RXFP1 Q9HBX9 3/20 0.67
TSHR P16473 3/20 0.67
ADORA2B P29275 2/20 0.67
TNF P01375 2/20 0.67
USP2 O75604 1/20 0.67
PDE4B Q07343 1/20 0.67
PDE4C Q08493 1/20 0.67
PDE4D Q08499 1/20 0.67

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
SCHEMBL7558655 0.97 POLB (0.72) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL7564102 0.90 PDE4A (0.60) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL7564474 0.87 POLB (0.73) LMNAPOLBHIF1ASMN1; SMN2RXFP1
SCHEMBL7802032 0.86 PDE4A (0.88) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL7567218 0.86 ALDH1A1 (0.58) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL2793931 0.86 POLB (0.75) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL3116289 0.85 POLB (0.86) LMNAPOLBHIF1ASMN1; SMN2RXFP1
SCHEMBL10784646 0.84 PDE4A (0.84) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL9297147 0.84 PDE4A (0.80) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL6346960 0.84 POLB (0.69) LMNACYP1A2NFKB1ACHEPDE4A

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 7 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
EP-0268585-B1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP disclosed
US-4833146-A BRAINS, BLOOD DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-23 US disclosed
EP-0268585-A1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF. HOECHST AG (DE) 1988-06-01 EP disclosed
WO-1987000523-A2 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-29 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 LMNA 2835/4885CYP1A2 334/4885NFKB1 1804/4885

“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.