SCHEMBL850121

SCHEMBL850121

CC(=O)N(C)c1cc(C)c(Br)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
FSCN1 Q16658 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HSD11B1 P28845 1/20 0.33
BRD4 O60885 2/20 0.33
PDK2 Q15119 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
LIN28A Q9H9Z2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL850907 0.83 ALDH1A1 (0.38) ALDH1A1RAB9ALMNANPC1KMT2A
SCHEMBL850628 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL848644 0.78 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL848958 0.77 ALDH1A1 (0.41) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL10291492 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL10705112 0.76 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL850191 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL10885379 0.75 S100B (0.50) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL13551970 0.75 FSCN1 (0.40) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL851068 0.74 BRD4 (0.39) ALDH1A1RAB9ALMNAKMT2ATSHR

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 12 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
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
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP 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 ALDH1A1 836/4885SMN1; SMN2 1005/4885RAB9A 1798/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 ALDH1A1 836/4885SMN1; SMN2 1005/4885RAB9A 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.