SCHEMBL879885

SCHEMBL879885

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 3/20 0.53
PKM P14618 1/20 0.50
MAPT P10636 5/20 0.47
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.43
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL851380 0.84 MMP8 (0.38) KMT2AALDH1A1RAB9APKMMAPT
SCHEMBL16302398 0.83 MAPT (0.40) KMT2AALDH1A1RAB9AMAPTNPC1
SCHEMBL16841790 0.82 POLB (0.49) KMT2AALDH1A1RAB9AMAPTNPC1
SCHEMBL2945233 0.78 ALDH1A1 (0.50) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL16302402 0.78 LATS1 (0.37) KMT2AALDH1A1RAB9APKMMAPT
SCHEMBL12883522 0.76 CYP1A2 (0.46) KMT2AALDH1A1RAB9APKMMAPT
SCHEMBL4485170 0.76 ABCB11 (0.56) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL1250097 0.76 RAB9A (0.67) KMT2AALDH1A1RAB9APKMMAPT
SCHEMBL2986775 0.75 MAPT (0.56) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL15061121 0.75 MAPT (0.43) KMT2AALDH1A1RAB9APKMMAPT

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 6 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

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 KMT2A 3163/4885ALDH1A1 836/4885RAB9A 1798/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 KMT2A 3163/4885ALDH1A1 836/4885RAB9A 1798/4885

“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.