SCHEMBL4621797

SCHEMBL4621797

Cn1c(=O)n(C)c2c(Br)cc(Br)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
MAOB P27338 3/20 0.42
MAOA P21397 1/20 0.42
ATAD2 Q6PL18 1/20 0.41
BRD1 O95696 3/20 0.39
TAF1 P21675 3/20 0.39
BRPF1 P55201 3/20 0.39
PIK3CG P48736 2/20 0.37
ADORA2B P29275 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
S100B P04271 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ADORA2A P29274 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL31393662 0.82 HSD17B10 (0.49) HSD17B10MAOBMAOAATAD2BRD1
SCHEMBL29704633 0.81 HSD17B10 (0.47) HSD17B10MAOBMAOAATAD2BRD1
SCHEMBL20983203 0.81 HSD17B10 (0.47) HSD17B10MAOBMAOAATAD2BRD1
SCHEMBL30992982 0.81 ATAD2 (0.52) HSD17B10MAOBMAOAATAD2BRD1
SCHEMBL17421014 0.81 HSD17B10 (0.47) HSD17B10MAOBMAOAATAD2BRD1
SCHEMBL30993227 0.81 HSD17B10 (0.47) HSD17B10MAOBMAOAATAD2BRD1
SCHEMBL31425830 0.81 HSD17B10 (0.40) HSD17B10MAOBMAOAATAD2BRD1
SCHEMBL31496215 0.81 HSD17B10 (0.47) HSD17B10MAOBMAOAATAD2BRD1
SCHEMBL30993461 0.79 HSD17B10 (0.46) HSD17B10MAOBMAOAATAD2BRD1
SCHEMBL31425983 0.79 MAOB (0.43) HSD17B10MAOBMAOAATAD2BRPF1

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
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
US-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-07-27 US claimed
US-20170182029-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-06-29 US disclosed
US-20170182029-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-06-29 US disclosed
US-9636328-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-02 US disclosed
US-9636328-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-02 US disclosed
US-20160145248-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. (CA) 2016-05-26 US disclosed
US-20160145248-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. (CA) 2016-05-26 US disclosed
US-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US disclosed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US disclosed
US-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US disclosed
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers Wella GmbH (DE) 2007-04-12 US disclosed
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2007-03-29 US disclosed
US-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-07-27 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 (5 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-20060162096-A1 Means and method for the simultaneous bleaching and dyeing of keratin fibres KRT18, GPX4, NOX4 HSD17B10 1345/4885MAOB 454/4885MAOA 710/4885
US-20170182029-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 HSD17B10 2623/4885MAOB 3885/4885MAOA 4378/4885
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 HSD17B10 1907/4885MAOB 228/4885MAOA 145/4885
US-20160145248-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 HSD17B10 2623/4885MAOB 3885/4885MAOA 4378/4885
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B HSD17B10 1533/4885MAOB 758/4885MAOA 367/4885

“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.