SCHEMBL7560381

SCHEMBL7560381

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
HIF1A Q16665 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CNOT7 Q9UIV1 6/20 0.52
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ADORA2B P29275 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PDE1C Q14123 1/20 0.49
MEN1 O00255 3/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL7561563 0.92 POLB (0.55) POLBHIF1AALDH1A1CNOT7KMT2A
SCHEMBL7563991 0.91 POLB (0.66) POLBHIF1AALDH1A1CNOT7SMN1; SMN2
SCHEMBL7561501 0.89 POLB (0.56) POLBHIF1AALDH1A1CNOT7KMT2A
SCHEMBL7563973 0.87 POLB (0.58) POLBHIF1AALDH1A1CNOT7KMT2A
SCHEMBL9054273 0.86 ALDH1A1 (0.58) POLBHIF1AALDH1A1CNOT7KMT2A
SCHEMBL7564102 0.83 PDE4A (0.60) POLBHIF1AALDH1A1CNOT7KMT2A
SCHEMBL7564815 0.83 ALDH1A1 (0.59) POLBHIF1AALDH1A1CNOT7KMT2A
SCHEMBL555093 0.82 ALDH1A1 (0.65) POLBHIF1AALDH1A1CNOT7KMT2A
SCHEMBL10346505 0.82 POLB (0.69) POLBHIF1AALDH1A1CNOT7SMN1; SMN2
SCHEMBL7567218 0.82 ALDH1A1 (0.58) POLBHIF1AALDH1A1CNOT7KMT2A

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 POLB 2681/4885HIF1A 2305/4885ALDH1A1 305/4885

“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.