SCHEMBL5160930

SCHEMBL5160930

CNC1=C(Cl)C(=O)C(NC)=C(Cl)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
KDM4E B2RXH2 4/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CASP1 P29466 1/20 0.48
BLM P54132 1/20 0.48
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 3/20 0.44
ATM Q13315 3/20 0.44
CCR6 P51684 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PKM P14618 1/20 0.44
MCL1 Q07820 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CES2 O00748 2/20 0.39
BCHE P06276 2/20 0.39

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
SCHEMBL6189154 0.77 MAPT (0.67) MAPTKDM4ETP53CYP3A4SMN1; SMN2
SCHEMBL14129452 0.71 KDM4E (0.38) MAPTKDM4ETP53CYP3A4SMN1; SMN2
SCHEMBL9861867 0.69 MAPT (0.64) MAPTKDM4ETP53CYP3A4BLM
SCHEMBL9701136 0.67 HSP90AA1 (0.66) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL27883899 0.67 MAPT (0.53) MAPTKDM4ETP53CYP3A4SMN1; SMN2
SCHEMBL15630509 0.65 MAPT (0.50) MAPTKDM4ETP53CYP3A4SMN1; SMN2
SCHEMBL11656289 0.65 IDO1 (0.31)
SCHEMBL22336637 0.61
SCHEMBL21141272 0.60 CDC25A (0.47) MAPTKDM4ETP53CYP3A4ALDH1A1
SCHEMBL1567436 0.59 CES2 (0.42) MAPTKDM4ETP53CYP3A4ALDH1A1

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
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
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
EP-0246112-B1 PREPARATION OF DIAMINO- AND DIALKYLAMINOBENZENEDIOLS THE DOW CHEMICAL COMPANY (US) 1991-06-12 EP disclosed
US-4806688-A Preparation of diamino- and dialkylaminobenzenediols THE DOW CHEMICAL COMPANY (US) 1989-02-21 US disclosed
EP-0246112-A1 Preparation of diamino- and dialkylaminobenzenediols THE DOW CHEMICAL COMPANY (US) 1987-11-19 EP disclosed
WO-1987006930-A1 PREPARATION OF DIAMINO- AND DIALKYLAMINOBENZENEDIOLS THE DOW CHEMICAL COMPANY (US) 1987-11-19 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 MAPT 1723/4885KDM4E 2619/4885TP53 1965/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT MAPT 1013/4885KDM4E 1848/4885TP53 811/4885

“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.