SCHEMBL848958

SCHEMBL848958

Cc1cc(N(C)C(=O)CN(C)C)cc(C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.38
DRD3 P35462 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
TACR1 P25103 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10291492 0.82 ALDH1A1 (0.41) ALDH1A1TSHRLMNAHPGDTP53
SCHEMBL850121 0.77 ALDH1A1 (0.42) ALDH1A1TSHRLMNAHPGDMAPT
SCHEMBL850907 0.77 ALDH1A1 (0.38) ALDH1A1TSHRDRD3LMNAHPGD
SCHEMBL28508705 0.74 ALDH1A1 (0.41) ALDH1A1TSHRLMNAHPGDTP53
SCHEMBL8255637 0.72 ALDH1A1 (0.46) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL8353849 0.71 HDAC1 (0.39) ALDH1A1TSHRLMNATP53MAPT
SCHEMBL1819075 0.69 KMT2A (0.54) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14337547 0.69 NOTUM (0.41) ALDH1A1TSHRKDM4ECYP1A2PDGFRB
SCHEMBL850862 0.69 TSHR (0.42) ALDH1A1TSHRDRD3LMNAHPGD
SCHEMBL851068 0.69 BRD4 (0.39) ALDH1A1TSHRLMNAHPGDMEN1

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 16 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
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 ALDH1A1 836/4885TSHR 914/4885DRD3 59/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 ALDH1A1 836/4885TSHR 914/4885DRD3 59/4885

“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.