SCHEMBL6736071

SCHEMBL6736071

CC(C)(C)C1=NN(Cc2ccccc2)C(=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
POLB P06746 3/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
ELANE P08246 2/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 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
SCHEMBL6733169 0.78 ALDH1A1 (0.54) ALDH1A1GAATHRBL3MBTL1KDM4E
SCHEMBL6738256 0.74 ALDH1A1 (0.50) ALDH1A1GAATHRBL3MBTL1KDM4E
SCHEMBL6735929 0.73 ALDH1A1 (0.49) ALDH1A1GAATHRBL3MBTL1KDM4E
SCHEMBL6728244 0.72 ALDH1A1 (0.44) ALDH1A1GAATHRBL3MBTL1KDM4E
SCHEMBL6727819 0.71 LOX (0.50) ALDH1A1GAAL3MBTL1KDM4ETDP1
SCHEMBL6733056 0.71 RGS4 (0.49) ALDH1A1GAATHRBL3MBTL1KDM4E
SCHEMBL6738185 0.70 ALDH1A1 (0.46) ALDH1A1GAATHRBKDM4ETDP1
SCHEMBL6731080 0.70 CYP2C9 (0.45) ALDH1A1GAATHRBKDM4EMAPT
SCHEMBL6734601 0.68 ALDH1A1 (0.56) ALDH1A1GAAL3MBTL1KDM4EMAPT
SCHEMBL6735570 0.67 ALDH1A1 (0.46) ALDH1A1GAATHRBL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6679923-B2 HAIR DYEING FORMULATION CONTAINING PYRAZOLIN-4,5-DIONES AND AT LEAST ONE AROMATIC PRIMARY AMINE ENABLES THE DYEING OF KERATIN FIBERS WITHOUT AND OXIDIZING AGENT IN SHADES WHICH ARE STRONG, VARIED, RESISTANT AND LESS SELECTIVE L'OREAL S.A. (FR) 2004-01-20 US disclosed
US-20020194685-A1 Composition for dyeing keratin fibres, comprising a pyrazoline-4, 5-dione and an aromatic primary amine L'OREAL S.A. (FR) 2002-12-26 US disclosed
US-6464732-B2 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-10-15 US disclosed
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL S.A. (FR) 2002-04-11 US disclosed
EP-0981320-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL (FR) 2000-03-01 EP disclosed
WO-1998051268-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE L'OREAL (FR) 1998-11-19 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-20020194685-A1 Composition for dyeing keratin fibres, comprising a pyrazoline-4, 5-dione and an aromatic primary amine KRT18, KLK5, MARK1 ALDH1A1 185/4885GAA 4731/4885THRB 3380/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 ALDH1A1 326/4885GAA 4764/4885THRB 2885/4885

“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.