SCHEMBL5161682

SCHEMBL5161682

O=C1C(Br)=C(c2ccccc2)C(=O)C(Br)=C1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.48
BACE1 P56817 2/20 0.46
P2RX7 Q99572 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
FGFR1 P11362 2/20 0.42
FGFR2 P21802 2/20 0.42
FGFR4 P22455 2/20 0.42
FGFR3 P22607 2/20 0.42
MITF O75030 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 1/20 0.41
CDC25B P30305 2/20 0.41
CDC25A P30304 1/20 0.41
PTPRC P08575 1/20 0.40
PTPRF P10586 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL5139553 0.81 FGFR1 (0.55) BACE1P2RX7ALDH1A1MAPTHTT
SCHEMBL27686351 0.78 PDE4B (0.61) PDE4BBACE1P2RX7CDC25BPTPRC
SCHEMBL15656245 0.76 PDE4B (0.50) PDE4BBACE1P2RX7ALDH1A1MAPT
SCHEMBL516326 0.75 PDE4B (0.54) PDE4BBACE1P2RX7ALDH1A1MAPT
SCHEMBL6674116 0.73 PTGS2 (0.55) PDE4BBACE1P2RX7ALDH1A1MAPT
SCHEMBL4916317 0.73 ALDH1A1 (0.61) PDE4BBACE1P2RX7ALDH1A1MAPT
SCHEMBL11619315 0.73 ALDH1A1 (0.61) PDE4BBACE1P2RX7ALDH1A1MAPT
SCHEMBL28351836 0.73 ALDH1A1 (0.61) PDE4BBACE1P2RX7ALDH1A1MAPT
SCHEMBL20160837 0.72 PDE4B (0.52) PDE4BBACE1P2RX7ALDH1A1MAPT
SCHEMBL13170491 0.72 PDE4B (0.52) PDE4BBACE1P2RX7ALDH1A1MAPT

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
EP-1754514-A1 Agent and method for colouring keratin fibres Wella Aktiengesellschaft (DE) 2007-02-21 EP claimed
US-20070000073-A1 Agent and method for colouring keratin fibres PROCTER & GAMBLE COMPANY, THE 2007-01-04 US claimed
WO-2006094217-A2 AGENT AND METHOD FOR COLOURING KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-09-08 WO claimed
US-7070625-B2 Agent and method for coloring keratin fibers containing 2-benzothiazolinone-hydrazone and quinone derivatives WELLA AG (DE) 2006-07-04 US claimed
EP-1448540-A1 AGENT AND METHOD FOR COLORING KERATIN FIBERS CONTAINING 2-BENZOTHIAZOLINONE-HYDRAZONE AND QUINONE DERIVATIVES Wella Aktiengesellschaft (DE) 2004-08-25 EP claimed
US-20040060124-A1 Agent and method for coloring keratin fibers containing 2-benzothiazolinone-hydrazone and quinone derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2004-04-01 US claimed
WO-2003042199-A1 AGENT AND METHOD FOR COLORING KERATIN FIBERS CONTAINING 2-BENZOTHIAZOLINONE-HYDRAZONE AND QUINONE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2003-05-22 WO claimed
EP-3271346-B1 ARYL COMPOUNDS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME UNIV NEVADA RENO (US) 2021-05-05 EP disclosed
WO-2016149633-A1 ARYL COMPOUNDS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2016-09-22 WO disclosed
EP-1754514-A1 Agent and method for colouring keratin fibres Wella Aktiengesellschaft (DE) 2007-02-21 EP disclosed
US-20070000073-A1 Agent and method for colouring keratin fibres PROCTER & GAMBLE COMPANY, THE 2007-01-04 US disclosed
WO-2006094217-A2 AGENT AND METHOD FOR COLOURING KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-09-08 WO disclosed
US-7070625-B2 Agent and method for coloring keratin fibers containing 2-benzothiazolinone-hydrazone and quinone derivatives WELLA AG (DE) 2006-07-04 US disclosed
EP-1448540-A1 AGENT AND METHOD FOR COLORING KERATIN FIBERS CONTAINING 2-BENZOTHIAZOLINONE-HYDRAZONE AND QUINONE DERIVATIVES Wella Aktiengesellschaft (DE) 2004-08-25 EP disclosed
US-20040060124-A1 Agent and method for coloring keratin fibers containing 2-benzothiazolinone-hydrazone and quinone derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2004-04-01 US disclosed
WO-2003042199-A1 AGENT AND METHOD FOR COLORING KERATIN FIBERS CONTAINING 2-BENZOTHIAZOLINONE-HYDRAZONE AND QUINONE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2003-05-22 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-20040060124-A1 Agent and method for coloring keratin fibers containing 2-benzothiazolinone-hydrazone and quinone derivatives KRT18, NDUFA1, NDUFA2 PDE4B 3987/4885BACE1 4216/4885P2RX7 3875/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT PDE4B 4198/4885BACE1 4385/4885P2RX7 4511/4885

“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.