SCHEMBL850422

SCHEMBL850422

CC(=O)NCc1cc(C)c(Br)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
S1PR4 O95977 1/20 0.40
SETDB1 Q15047 1/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
VHL P40337 1/20 0.39
LMNA P02545 1/20 0.38
PTPN1 P18031 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL5436067 0.82 KMT2A (0.47) HDAC1HDAC6KMT2AALDH1A1MAPT
SCHEMBL15262472 0.81 KDM4E (0.51) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL11210850 0.81 KMT2A (0.57) HDAC1HDAC6KMT2AALDH1A1MAPT
SCHEMBL16302226 0.81 KMT2A (0.46) HDAC1HDAC6KMT2AALDH1A1MAPT
SCHEMBL15926181 0.80 HDAC1 (0.50) HDAC1HDAC6KMT2AALDH1A1MAPT
SCHEMBL27457692 0.79 KMT2A (0.44) HDAC1HDAC6KMT2AALDH1A1MAPT
SCHEMBL27474959 0.79 ALDH1A1 (0.49) HDAC1HDAC6KMT2AALDH1A1MAPT
SCHEMBL22709990 0.78 KMT2A (0.50) HDAC1HDAC6KMT2AALDH1A1MAPT
SCHEMBL17117530 0.78 KMT2A (0.50) HDAC1HDAC6KMT2AALDH1A1MAPT
SCHEMBL5724755 0.77 ALDH1A1 (0.55) HDAC1HDAC6KMT2AALDH1A1MAPT

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 11 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

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 HDAC1 71/4885HDAC6 52/4885KMT2A 3163/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HDAC1 71/4885HDAC6 52/4885KMT2A 3163/4885

“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.