SCHEMBL851068

SCHEMBL851068

Cc1cc(N(C)C(=O)OC(C)(C)C)cc(C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
PAX8 Q06710 1/20 0.39
ALDH1A1 P00352 2/20 0.36
NCEH1 Q6PIU2 1/20 0.34
CREBBP Q92793 1/20 0.33
TSHR P16473 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 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
SCHEMBL850786 0.90 BRD4 (0.36) BRD4PAX8NCEH1CREBBPTSHR
SCHEMBL13552564 0.89 ALDH1A1 (0.33) BRD4PAX8ALDH1A1MTNR1AMTNR1B
SCHEMBL850590 0.88 MTNR1A (0.39) BRD4PAX8NCEH1CREBBPAAK1
SCHEMBL16302419 0.83 BRD4 (0.39) BRD4PAX8CREBBPLMNAMEN1
SCHEMBL29971432 0.83 BRD4 (0.40) BRD4PAX8NCEH1CREBBPAAK1
SCHEMBL29435779 0.80 BRD4 (0.38) BRD4PAX8ALDH1A1CREBBPAAK1
SCHEMBL30369986 0.80 S100B (0.42) BRD4PAX8ALDH1A1CREBBPTSHR
SCHEMBL22272756 0.80 BRD4 (0.42) BRD4PAX8NCEH1CREBBPTSHR
SCHEMBL18157854 0.80 S100B (0.42) BRD4PAX8ALDH1A1CREBBPTSHR
SCHEMBL879788 0.80 BRD4 (0.37) BRD4PAX8CREBBPLMNAMEN1

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 18 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-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP 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-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
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
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
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 (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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 BRD4 193/4885PAX8 4305/4885ALDH1A1 836/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 BRD4 193/4885PAX8 4305/4885ALDH1A1 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.