SCHEMBL6727799

SCHEMBL6727799

COC(=O)C1=NNC(=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
ALDH1A1 P00352 3/20 0.31
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
STS P08842 1/20 0.31
CHEK1 O14757 1/20 0.30
MET P08581 1/20 0.30
GSK3B P49841 1/20 0.30
LIMK1 P53667 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL7612132 0.67 MAPT (0.39) TSHRGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL13528338 0.66 NPSR1 (0.46) NPSR1TSHRMAPK1CYP1A2KDM4C
SCHEMBL6738279 0.64
SCHEMBL12182678 0.63 ADRA1A (0.43) NPSR1KDM4CKDM4EALDH1A1MAPT
SCHEMBL9242569 0.61 NPSR1 (0.46) NPSR1TSHRCYP1A2GAAKDM4E
SCHEMBL1757748 0.60 NPC1 (0.47) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL6731032 0.59
SCHEMBL7308837 0.59 NPSR1 (0.34) NPSR1TSHRMAPK1CYP1A2KDM4C
SCHEMBL10260335 0.57 CA1 (0.57) NPSR1TSHRMAPK1GAASMN1; SMN2
SCHEMBL6440860 0.56 NPSR1 (0.59) NPSR1TSHRMAPK1CYP1A2KDM4C

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 NPSR1 3642/4885TSHR 3982/4885MAPK1 1085/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 NPSR1 3450/4885TSHR 3604/4885MAPK1 1861/4885

“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.