SCHEMBL850191

SCHEMBL850191

CC(=O)N(C)c1ccc(C)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 5/20 0.44
HPGD P15428 4/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
PDK2 Q15119 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
S1PR1 P21453 1/20 0.38
MTOR P42345 2/20 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
SCHEMBL850628 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL23927452 0.85 MEN1 (0.44) ALDH1A1SMN1; SMN2HPGDRAB9APOLB
SCHEMBL31139527 0.78 KMT2A (0.52) ALDH1A1HPGDRAB9APOLBKMT2A
SCHEMBL8258055 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL10885379 0.78 S100B (0.50) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL10048011 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL9419196 0.77 MEN1 (0.55) ALDH1A1SMN1; SMN2HPGDRAB9ALMNA
SCHEMBL22272756 0.77 BRD4 (0.42) SMN1; SMN2HPGDRAB9ALMNAKMT2A
SCHEMBL22324852 0.76 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2RAB9APOLBLMNA
SCHEMBL10048292 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9APOLBLMNA

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 14 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
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

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

“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.