SCHEMBL6794134

SCHEMBL6794134

CC(C)(C)OC(=O)N(Cc1ccc(/C(N)=N\OC(=O)OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
L3MBTL1 Q9Y468 8/20 0.42
TDP1 Q9NUW8 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TNF P01375 1/20 0.40
KLF5 Q13887 1/20 0.40
NOD1 Q9Y239 1/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL6794138 1.00 HDAC3 (0.44) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL8360300 0.82 HDAC3 (0.43) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL8363208 0.81 GRM2 (0.38) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL25489140 0.79 TNF (0.64) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8363482 0.78 HDAC3 (0.40) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL29573114 0.78 GRM2 (0.42) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL6791575 0.78 GRM2 (0.42) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL6793545 0.78 L3MBTL1 (0.49) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL23486912 0.78 L3MBTL1 (0.67) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8363701 0.78 L3MBTL1 (0.49) L3MBTL1TDP1ALDH1A1MAPTSMN1; SMN2

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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 US disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG HDAC3 466/4885HDAC1 952/4885HDAC2 1190/4885

“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.