SCHEMBL6733808

SCHEMBL6733808

COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
GAA P10253 2/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.40
TCF4 P15884 1/20 0.39
CTNNB1 P35222 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CASP3 P42574 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6727704 0.88 MEN1 (0.47) ALDH1A1KMT2AGAAMAPTMEN1
SCHEMBL6732799 0.88 MAPT (0.44) ALDH1A1KMT2ATDP1GAAMAPT
SCHEMBL6733203 0.88 MEN1 (0.45) ALDH1A1KMT2ATDP1GAAMAPT
SCHEMBL6728136 0.85 ALDH1A1 (0.49) ALDH1A1KMT2APOLBTDP1GAA
SCHEMBL6734973 0.82 KAT8 (0.43) ALDH1A1KMT2APOLBGAAMAPT
SCHEMBL7612002 0.77 PDE4D (0.50) ALDH1A1KMT2APOLBTDP1GAA
SCHEMBL7606142 0.76 KDM4E (0.60) ALDH1A1KMT2ATDP1GAAMAPT
SCHEMBL6727745 0.75 ALDH1A1 (0.60) ALDH1A1KMT2ATDP1GAAMAPT
SCHEMBL6733711 0.74 MEN1 (0.45) ALDH1A1KMT2APOLBTDP1GAA
SCHEMBL6731038 0.73 ALDH1A1 (0.40) ALDH1A1KMT2AGAAMAPTMEN1

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 9 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
US-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof L'OREAL SA 2002-03-14 US disclosed
US-6322775-B1 FOR COLORING THE SKIN AND/OR THE HAIR; SIDE EFFECTS REDUCTION; STABILITY L'OREAL S.A. (FR) 2001-11-27 US disclosed
EP-0888306-B1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF OREAL (FR) 2001-07-25 EP 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 (3 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 185/4885KMT2A 1376/4885POLB 1281/4885
US-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof PPARD, PLIN5, PDK4 ALDH1A1 263/4885KMT2A 2848/4885POLB 1971/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 ALDH1A1 326/4885KMT2A 1176/4885POLB 1200/4885

“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.