SCHEMBL6706004

SCHEMBL6706004

COc1ccc(COC(=O)c2ccc3c(c2)CN(Cc2ccc(S(C)(=O)=O)cc2)C(=O)N3C)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HDAC1 Q13547 1/20 0.39
MAPT P10636 4/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6754368 0.89 NPC1 (0.44) HDAC6SMN1; SMN2HDAC1MEN1KMT2A
SCHEMBL6813351 0.87 HDAC6 (0.40) HDAC6SMN1; SMN2HDAC1MEN1KMT2A
SCHEMBL6704736 0.85 SMN1; SMN2 (0.57) SMN1; SMN2MAPT
SCHEMBL6706175 0.84 HDAC6 (0.40) HDAC6SMN1; SMN2HDAC1MAPTHTT
SCHEMBL6704915 0.82 ERCC5 (0.44)
SCHEMBL6704944 0.79 THRB (0.45) HDAC6SMN1; SMN2HDAC1MAPTPKM
SCHEMBL6753604 0.77 POLB (0.43) HDAC6SMN1; SMN2HDAC1KMT2ARAB9A
SCHEMBL6706798 0.74 MAPT (0.55) SMN1; SMN2MAPT
SCHEMBL6765613 0.73 MEN1 (0.52) HDAC6SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6742554 0.70 PTGER4 (0.48) HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors NAHRA JOE (US) 2004-03-04 US disclosed
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 PTGS2 261/4885HDAC6 372/4885SMN1; SMN2 1067/4885

“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.