SCHEMBL6505095

SCHEMBL6505095

O=C(OCCC1SC(NC2CC3C=CC2C3)=NC1=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6506994 0.89 KMT2A (0.35) KDM4EMAPTL3MBTL1
SCHEMBL6503874 0.86 KMT2A (0.36) KDM4EALDH1A1
SCHEMBL6429803 0.85 RAB9A (0.38) KDM4EALDH1A1MAPT
SCHEMBL6499622 0.85 HPGD (0.35) ALDH1A1MAPTL3MBTL1
SCHEMBL6392731 0.84 EPHX2 (0.33) KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL6503577 0.84 ALDH1A1 (0.34) KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL6510626 0.82 TDP1 (0.34) ALDH1A1
SCHEMBL6508683 0.82 SSTR3 (0.31)
SCHEMBL6500555 0.82 L3MBTL1 (0.35) KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL6505196 0.81 MAPT (0.33) MAPT

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005020987-A1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-10 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 KDM4E 2824/4885ALDH1A1 67/4885MAPT 3607/4885

“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.