SCHEMBL5160344

SCHEMBL5160344

CC(=O)ON=C1C=CC(=O)C(Br)=C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
MIF P14174 1/20 0.32
KDM4E B2RXH2 1/20 0.31
S1PR2 O95136 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
XBP1 P17861 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
MPI P34949 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5162917 0.81 MAPT (0.56) ALDH1A1LMNAMAPTHTTMIF
SCHEMBL5161514 0.80 ALOX5 (0.37) ALDH1A1LMNAMAPTHTTMAPK1
SCHEMBL5160435 0.79 ALDH1A1 (0.41) ALDH1A1LMNAMAPTHTTMIF
SCHEMBL5162920 0.78 ALDH1A1 (0.41) ALDH1A1LMNAMAPTHTTMIF
SCHEMBL13804628 0.77 ALDH1A1 (0.37) ALDH1A1LMNAMAPTHTTMIF
SCHEMBL5164392 0.77 ALDH1A1 (0.37) ALDH1A1LMNAMAPTHTTMIF
SCHEMBL2046608 0.77 MIF (0.39) ALDH1A1LMNAMAPTHTTMIF
SCHEMBL5160592 0.74 ALDH1A1 (0.39) ALDH1A1LMNAMAPTHTT
SCHEMBL5163570 0.74 ALDH1A1 (0.36) ALDH1A1LMNAMAPTHTT
SCHEMBL5161488 0.74 MIF (0.54) ALDH1A1LMNAMAPTHTTMIF

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399114-B1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AG (DE) 2007-03-28 EP claimed
US-7056349-B2 Agent containing quinonimine derivatives and used to color keratin fibres, and associated method WELLA AG (DE) 2006-06-06 US claimed
US-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-02 US claimed
EP-1399114-B1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AG (DE) 2007-03-28 EP disclosed
US-7056349-B2 Agent containing quinonimine derivatives and used to color keratin fibres, and associated method WELLA AG (DE) 2006-06-06 US disclosed
EP-1399114-A1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD Wella Aktiengesellschaft (DE) 2004-03-24 EP disclosed
US-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-02 US disclosed
WO-2002102336-A1 AGENT CONTAINING QUINONIMINE DERIVATIVES AND USED TO COLOUR KERATIN FIBRES, AND ASSOCIATED METHOD WELLA AKTIENGESELLSCHAFT (DE) 2002-12-27 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 (1 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-20030182736-A1 Agent containing quinonimine derivatives and used to colour keratin fibres, and associated method KRT18, MKI67, F12 ALDH1A1 380/4885LMNA 599/4885MAPT 661/4885

“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.