SCHEMBL3545968

SCHEMBL3545968

O=C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TSHR P16473 6/20 0.53
MAPK1 P28482 1/20 0.53
THRB P10828 2/20 0.39
HSD17B10 Q99714 2/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CTH P32929 1/20 0.38
CBS P35520 1/20 0.38
THPO P40225 1/20 0.38
CAMK2A Q9UQM7 1/20 0.32
EPHX2 P34913 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP2C19 P33261 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL28250664 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL17807067 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3545311 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4150786 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL5243510 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL245113 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2864476 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL14312417 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4163075 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3548961 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP claimed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US claimed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US claimed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP claimed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 MEN1 2133/4885KMT2A 984/4885TSHR 4285/4885

“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.