SCHEMBL5452936

SCHEMBL5452936

CC(C)OC(=O)CCCn1c(=O)c2nc(-c3ccccc3)c(Cl)nc2n(C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
GAA P10253 2/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
TNF P01375 8/20 0.42
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 3/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL5437071 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL5442804 0.79 LMNA (0.56) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL5437131 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL5452955 0.77 ALDH1A1 (0.65) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL5452709 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL5435794 0.76 ALDH1A1 (0.58) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL5445092 0.75 ALDH1A1 (0.57) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL5438209 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL5452939 0.74 KDM4E (0.89) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL5440062 0.72 KDM4E (0.64) ALDH1A1KDM4EGAAGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636232-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-03-22 EP claimed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO claimed
US-20070043000-A1 Immunosuppresive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-02-22 US disclosed
EP-1636232-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-03-22 EP disclosed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO disclosed
EP-1479682-A1 Immunosuppressive effects of pteridine derivatives 4 AZA Bioscience nv (BE) 2004-11-24 EP 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-20070043000-A1 Immunosuppresive effects of pteridine derivatives TPMT, FKBP5, RRP15 ALDH1A1 1767/4885KDM4E 1686/4885GAA 3004/4885

“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.