SCHEMBL850076

SCHEMBL850076

CC(=O)OCC(=O)N(CCO[Si](C)(C)C(C)(C)C)c1ccc(Br)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
DGAT1 O75907 3/20 0.38
ALDH1A1 P00352 4/20 0.32
RAB9A P51151 3/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAD52 P43351 1/20 0.30

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
SCHEMBL16302287 0.82 PKM (0.46) PKMALDH1A1RAB9AKMT2ANPC1
SCHEMBL849375 0.82 DGAT1 (0.39) DGAT1ALDH1A1KMT2AATMMEN1
SCHEMBL13555124 0.81 PKM (0.49) PKMALDH1A1RAB9AKMT2ANPC1
SCHEMBL851159 0.81 DGAT1 (0.37) PKMDGAT1ALDH1A1RAB9AKMT2A
SCHEMBL849250 0.78 DGAT1 (0.41) DGAT1ALDH1A1RAB9AKMT2ANPC1
SCHEMBL849049 0.75 PKM (0.46) PKMALDH1A1RAB9AKMT2ANPC1
SCHEMBL13552287 0.74 DGAT1 (0.36) DGAT1ALDH1A1
SCHEMBL850772 0.73 RAB9A (0.34) DGAT1ALDH1A1RAB9AKMT2ALMNA
SCHEMBL16358561 0.71 DGAT1 (0.30) DGAT1
SCHEMBL879935 0.71 PKM (0.42) PKMALDH1A1RAB9AKMT2ANPC1

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
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP 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 598/4885DGAT1 4720/4885ALDH1A1 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.