SCHEMBL6734876

SCHEMBL6734876

Cc1ccc(N2N=C(c3ccco3)C(=O)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
KDM4E B2RXH2 7/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RECQL P46063 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
HSD17B10 Q99714 3/20 0.43
NPSR1 Q6W5P4 4/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 4/20 0.41
GAA P10253 3/20 0.41
PSMD14 O00487 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
EP300 Q09472 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
POLB P06746 3/20 0.39
LMNA P02545 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
SCHEMBL6734855 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL6727772 0.87 PTGS1 (0.43) ALDH1A1KDM4EMEN1KMT2ARECQL
SCHEMBL6731618 0.86 NPBWR1 (0.48) ALDH1A1KDM4EMEN1KMT2ARECQL
SCHEMBL6727533 0.82 MEN1 (0.48) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL14559336 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EAPOBEC3GMEN1KMT2A
SCHEMBL6735332 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2ARECQL
SCHEMBL6732615 0.76 GAA (0.42) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL6730982 0.75 APP (0.46) ALDH1A1KDM4EMEN1KMT2ARECQL
SCHEMBL6936608 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EAPOBEC3GMEN1KMT2A
SCHEMBL6732771 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2ARECQL

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 11 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
EP-0888306-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1999-01-07 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
WO-1997035842-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1997-10-02 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 185/4885KDM4E 376/4885APOBEC3G 2946/4885
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 263/4885KDM4E 626/4885APOBEC3G 1562/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 ALDH1A1 326/4885KDM4E 292/4885APOBEC3G 2993/4885

“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.