SCHEMBL879935

SCHEMBL879935

CC(=O)OCCOCCN(C(C)=O)c1ccc(Br)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
RAD52 P43351 1/20 0.40
ALDH1A1 P00352 9/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 2/20 0.31
SLC22A1 O15245 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
THRB P10828 1/20 0.31
CHRM1 P11229 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
SCHEMBL849049 0.92 PKM (0.46) PKMRAD52ALDH1A1RAB9AKMT2A
SCHEMBL850794 0.87 ALDH1A1 (0.36) PKMALDH1A1RAB9AKMT2AKDM4E
SCHEMBL849736 0.86 TSPO (0.39) PKMALDH1A1RAB9AKMT2AKDM4E
SCHEMBL849152 0.83 ALDH1A1 (0.43) PKMALDH1A1RAB9AKMT2AKDM4E
SCHEMBL851159 0.82 DGAT1 (0.37) PKMALDH1A1RAB9AKMT2AKDM4E
SCHEMBL16302287 0.81 PKM (0.46) PKMRAD52ALDH1A1RAB9AKMT2A
SCHEMBL848015 0.78 PKM (0.38) PKMALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL850114 0.77 RAD52 (0.40) PKMRAD52ALDH1A1KMT2ATSHR
SCHEMBL16087575 0.77 CHRNA1 (0.30)
SCHEMBL16104714 0.76 RAD52 (0.37) PKMRAD52ALDH1A1RAB9AKMT2A

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
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PKM 598/4885RAD52 3894/4885ALDH1A1 836/4885

“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.