SCHEMBL6736072

SCHEMBL6736072

CC(C)(C)C1NN(Cc2ccccc2)C(=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 1/20 0.39
ELANE P08246 3/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
ALDH1A1 P00352 3/20 0.37
EHMT2 Q96KQ7 1/20 0.37
GSK3A P49840 3/20 0.36
GSK3B P49841 3/20 0.36
MGLL Q99685 1/20 0.36
P2RX4 Q99571 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6733172 0.79 MEN1 (0.42) KMT2AMEN1ELANEF2PLG
SCHEMBL6738261 0.75 MEN1 (0.39) KMT2AMEN1ELANEF2PLG
SCHEMBL6735933 0.74 HPGD (0.43) KMT2AMEN1ELANEF2PLG
SCHEMBL6728248 0.73 KMT2A (0.41) KMT2AMEN1POLBELANEF2
SCHEMBL6727822 0.72 ALDH1A1 (0.36) KMT2AMEN1POLBALDH1A1GSK3A
SCHEMBL7587015 0.72 MEN1 (0.48) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL6738188 0.72 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL6731082 0.71 ALDH1A1 (0.39) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL13935031 0.66 OPRK1 (0.49) KMT2AALDH1A1HPGD
SCHEMBL13669824 0.65 MEN1 (0.59) KMT2AMEN1ELANEF2PLG

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 KMT2A 1376/4885MEN1 3401/4885POLB 1281/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 KMT2A 1176/4885MEN1 3896/4885POLB 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.