SCHEMBL6731080

SCHEMBL6731080

CC(=O)NC1=NN(Cc2ccccc2)C(=O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 4/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ACHE P22303 1/20 0.39
MAPT P10636 2/20 0.39
BRD4 O60885 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
UBE2N P61088 1/20 0.39
PAX8 Q06710 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
SCHEMBL6739534 0.75 KMT2A (0.55) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL6738185 0.74 ALDH1A1 (0.46) CYP1A2GAAKMT2AMEN1ALDH1A1
SCHEMBL6728244 0.74 ALDH1A1 (0.44) GAAKMT2AMEN1ALDH1A1THRB
SCHEMBL6733169 0.73 ALDH1A1 (0.54) GAAKMT2AMEN1ALDH1A1THRB
SCHEMBL6736071 0.70 ALDH1A1 (0.46) GAAKMT2AMEN1ALDH1A1THRB
SCHEMBL6738256 0.70 ALDH1A1 (0.50) GAAKMT2AMEN1ALDH1A1THRB
SCHEMBL6735929 0.69 ALDH1A1 (0.49) GAAKMT2AMEN1ALDH1A1THRB
SCHEMBL6733056 0.67 RGS4 (0.49) GAAKMT2AMEN1ALDH1A1THRB
SCHEMBL18593075 0.67 HDAC3 (0.64) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL6735989 0.66 ALDH1A1 (0.50) GAAKMT2AMEN1ALDH1A1LMNA

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 CYP2C9 420/4885CYP2C19 435/4885CYP1A2 145/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 CYP2C9 525/4885CYP2C19 428/4885CYP1A2 174/4885

“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.