SCHEMBL567481

SCHEMBL567481

O=C(O)c1ccc(OCC2CCOC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.51
PARP10 Q53GL7 4/20 0.51
PARP2 Q9UGN5 2/20 0.51
XDH P47989 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.45
NSD2 O96028 1/20 0.44
FFAR1 O14842 1/20 0.44
ACACB O00763 3/20 0.44
ACACA Q13085 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
GRM5 P41594 2/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL12420708 0.91 PARP15 (0.58) PARP15PARP10PARP2XDHNR1H4
SCHEMBL28323610 0.83 NR1H4 (0.58) XDHNR1H4KMT2ANR4A2GRM5
SCHEMBL416244 0.82 PARP15 (0.72) PARP15PARP10PARP2NR1H4PKM
SCHEMBL28044526 0.81 MAPT (0.51) XDH
SCHEMBL2885506 0.80 PARP10 (0.73) PARP15PARP10PARP2NR1H4MEN1
SCHEMBL12420703 0.80 PARP10 (0.73) PARP15PARP10PARP2NR1H4MEN1
SCHEMBL942949 0.79 MEN1 (0.55) MEN1KMT2APKM
SCHEMBL1532862 0.78 PARP10 (0.74) PARP15PARP10PARP2NR1H4MEN1
SCHEMBL12420700 0.78 PARP10 (0.74) PARP15PARP10PARP2NR1H4MEN1
SCHEMBL1532841 0.78 PARP10 (0.74) PARP15PARP10PARP2NR1H4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522657-B1 INDOLE DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2016-08-03 EP disclosed
US-8642770-B2 Indole derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-04 US disclosed
US-8383647-B2 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-26 US disclosed
US-20130018073-A1 INDOLE DERIVATIVE Takeda Pharmaceuticl Company Limited 2013-01-17 US disclosed
EP-2522657-A1 INDOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-20120035213-A1 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2392573-A1 QUINOLINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2011-12-07 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 (2 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-20130018073-A1 INDOLE DERIVATIVE MCHR1, MC1R, MCHR2 PARP15 4027/4885PARP10 4093/4885PARP2 4837/4885
US-20120035213-A1 Quinoline derivative MC1R, MCHR1, MCHR2 PARP15 3469/4885PARP10 3589/4885PARP2 4661/4885

“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.