SCHEMBL850626

SCHEMBL850626

COC(=O)Nc1ccc(C)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.46
FAAH O00519 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL3928807 0.86 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL31214788 0.83 CA12 (0.54) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2349732 0.83 CA12 (0.54) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL10975265 0.83 POLB (0.63) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2886975 0.83 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL1242327 0.83 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2556808 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31094956 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL29922263 0.80 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL716888 0.80 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A

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 13 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
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO disclosed
EP-1781297-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2006018326-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 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 SMN1; SMN2 1005/4885ALDH1A1 836/4885KDM4E 2949/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 SMN1; SMN2 1005/4885ALDH1A1 836/4885KDM4E 2949/4885

“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.