SCHEMBL849055

SCHEMBL849055

CNCc1cc(C)c(Br)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.35
HTR7 P34969 2/20 0.35
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
PRMT6 Q96LA8 6/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
NOS1 P29475 2/20 0.32
TAAR1 Q96RJ0 2/20 0.31
NCF1 P14598 1/20 0.31
HPGD P15428 1/20 0.31
EPHX2 P34913 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
SCHEMBL19949144 0.86 NTRK1 (0.34) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL29843355 0.86 NTRK1 (0.34) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL4570829 0.82 KDM4E (0.44) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL28906153 0.77 MAPT (0.41) KDM4ECYP3A4MAPTALDH1A1CYP1A2
SCHEMBL23639185 0.76 ALDH1A1 (0.46) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL12305653 0.76 SHBG (0.47) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL13339967 0.76 KDM4E (0.52) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL9300840 0.76 HTR7 (0.42) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL31672808 0.76 HTR7 (0.42) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL4408779 0.75 KDM4E (0.42) KDM4ECYP3A4MAPTLOXL2HTR7

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 17 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
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 KDM4E 2949/4885CYP3A4 169/4885MAPT 3000/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 KDM4E 2949/4885CYP3A4 169/4885MAPT 3000/4885

“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.