SCHEMBL879788

SCHEMBL879788

C=Cc1c(C)cc(N(C)C(=O)OC(C)(C)C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.37
PAX8 Q06710 1/20 0.36
TGM2 P21980 2/20 0.34
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
CREBBP Q92793 1/20 0.32
LMNA P02545 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
F13A1 P00488 1/20 0.30
TGM1 P22735 1/20 0.30
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL17215222 0.82 BRD4 (0.36) BRD4PAX8NFKB1NFKB2RELA
SCHEMBL16302419 0.80 BRD4 (0.39) BRD4PAX8NFKB1NFKB2RELA
SCHEMBL851068 0.80 BRD4 (0.39) BRD4PAX8NFKB1NFKB2RELA
SCHEMBL21816766 0.76 BRD4 (0.39) BRD4PAX8NFKB1NFKB2RELA
SCHEMBL879789 0.75 GRM5 (0.36) LMNA
SCHEMBL2373677 0.75 PAX8 (0.46) BRD4PAX8TGM2CREBBPLMNA
SCHEMBL655195 0.75 BRD4 (0.43) BRD4PAX8NFKB1CREBBPLMNA
SCHEMBL17215263 0.75 BRD4 (0.36) BRD4PAX8NFKB1NFKB2RELA
SCHEMBL21871193 0.74 PAX8 (0.45) BRD4PAX8NFKB1NFKB2RELA
SCHEMBL13553353 0.74 BRD4 (0.36) BRD4PAX8NFKB1NFKB2RELA

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 10 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
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
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
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 BRD4 193/4885PAX8 4305/4885TGM2 4550/4885

“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.