SCHEMBL5158945

SCHEMBL5158945

O=C1C=C(NCCO)C(=O)C=C1NCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CYP1A2 P05177 2/20 0.38
▸ CDC25A P30304 1/20 0.36
▸ DNM1 Q05193 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MALT1 Q9UDY8 2/20 0.35
▸ APAF1 O14727 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ CYP2C8 P10632 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2B6 P20813 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
SCHEMBL10806369 0.82 MAPT (0.42) MAPTTP53CYP3A4CASP1BLM
SCHEMBL15022768 0.80 DNM1 (0.71) MAPTTP53CYP3A4CASP1BLM
SCHEMBL15022915 0.79 DNM1 (0.50) MAPTTP53CYP3A4CASP1BLM
SCHEMBL11248712 0.78 TP53 (0.40) MAPTTP53CYP3A4CASP1BLM
SCHEMBL10079602 0.75 GPR84 (0.41) MAPTTP53CYP3A4CASP1BLM
SCHEMBL14764737 0.75 MAPT (0.68) MAPTTP53CYP3A4CASP1BLM
SCHEMBL1435599 0.74 DNM1 (0.45) MAPTTP53CYP3A4CASP1BLM
SCHEMBL11391477 0.73 MAPT (0.35) MAPTTP53CYP3A4CASP1BLM
SCHEMBL10895797 0.73 BLM (0.50) MAPTTP53CYP3A4CASP1BLM
SCHEMBL15354650 0.71 ALDH1A1 (0.62) MAPTCYP3A4SMN1; SMN2CYP1A2ALDH1A1

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 12 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

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 1723/4885TP53 1965/4885CYP3A4 2831/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT MAPT 1013/4885TP53 811/4885CYP3A4 2296/4885

“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.

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