SCHEMBL849379

SCHEMBL849379

CC(=O)NCCNC(=O)CNc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.52
MAPT P10636 6/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
XBP1 P17861 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
DHODH Q02127 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL848750 0.87 MAPT (0.47) EPHX1MAPTHTTMEN1KMT2A
SCHEMBL849482 0.84 MAPT (0.44) EPHX1MAPTHTTMEN1KMT2A
SCHEMBL850650 0.78 MAPT (0.57) EPHX1MAPTHTTMEN1KMT2A
SCHEMBL849876 0.78 MAPT (0.51) EPHX1MAPTHTTMEN1KMT2A
SCHEMBL848366 0.76 MAPT (0.50) EPHX1MAPTHTTMEN1KMT2A
SCHEMBL30977691 0.75 EPHX1 (0.74) EPHX1MAPTHTTMEN1KMT2A
SCHEMBL1431941 0.75 EPHX1 (0.74) EPHX1MAPTHTTMEN1KMT2A
SCHEMBL13555091 0.74 POLB (0.56) EPHX1MAPTHTTMEN1KMT2A
SCHEMBL847592 0.73 MAPT (0.50) EPHX1MAPTHTTMEN1KMT2A
SCHEMBL12895720 0.72 MAPT (0.49) EPHX1MAPTHTTMEN1KMT2A

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 12 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-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
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
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 EPHX1 4315/4885MAPT 3000/4885HTT 1584/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 EPHX1 4315/4885MAPT 3000/4885HTT 1584/4885

“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.