SCHEMBL879705

SCHEMBL879705

COC(=O)Nc1cc(C)c(Br)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 3/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 3/20 0.41
FAAH O00519 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TNIK Q9UKE5 1/20 0.41
LMNA P02545 3/20 0.41
STAT3 P40763 1/20 0.41
NOD2 Q9HC29 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL849917 0.82 CA12 (0.48) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL6864047 0.81 ALDH1A1 (0.41) HPGDALDH1A1MAPTCYP3A4NPC1
SCHEMBL13555132 0.80 ALDH1A1 (0.38) SMN1; SMN2HPGDALDH1A1KDM4EMAPT
SCHEMBL11656945 0.80 SMN1; SMN2 (0.60) SMN1; SMN2HPGDALDH1A1KDM4EMAPT
SCHEMBL3928807 0.79 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1MAPTCYP3A4NPC1
SCHEMBL850463 0.79 LMNA (0.54) SMN1; SMN2ALDH1A1MAPTCYP3A4RAB9A
SCHEMBL10977958 0.78 SMN1; SMN2 (0.46) SMN1; SMN2HPGDALDH1A1KDM4EMAPT
SCHEMBL27670903 0.78 KIF11 (0.46) ALDH1A1MAPTCYP3A4NPC1LMNA
SCHEMBL10976061 0.77 SMN1; SMN2 (0.44) SMN1; SMN2HPGDALDH1A1KDM4EMAPT
SCHEMBL6541658 0.77 HPGD (0.53) SMN1; SMN2HPGDALDH1A1KDM4EMAPT

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 9 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
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-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 (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 1005/4885HPGD 2068/4885ALDH1A1 836/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 SMN1; SMN2 1005/4885HPGD 2068/4885ALDH1A1 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.