SCHEMBL6738261

SCHEMBL6738261

COC1NN(Cc2ccccc2)C(=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ELANE P08246 2/20 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
HPGD P15428 1/20 0.38
ALDH1A1 P00352 3/20 0.37
EHMT2 Q96KQ7 1/20 0.37
HSD11B1 P28845 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MGLL Q99685 1/20 0.36
EP300 Q09472 1/20 0.36
LMNA P02545 1/20 0.36

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 0.82 MEN1 (0.42) MEN1KMT2AELANEF2PLG
SCHEMBL6738188 0.78 ALDH1A1 (0.46) MEN1KMT2AHPGDALDH1A1LMNA
SCHEMBL6736072 0.75 KMT2A (0.39) MEN1KMT2AELANEF2PLG
SCHEMBL6735933 0.74 HPGD (0.43) MEN1KMT2AELANEF2PLG
SCHEMBL6728248 0.73 KMT2A (0.41) MEN1KMT2AELANEF2PLG
SCHEMBL6732147 0.72 KMT2A (0.35) MEN1KMT2AHPGDALDH1A1GSK3A
SCHEMBL7587015 0.72 MEN1 (0.48) MEN1KMT2AHPGDALDH1A1LMNA
SCHEMBL6731082 0.71 ALDH1A1 (0.39) MEN1KMT2AALDH1A1LMNA
SCHEMBL6551986 0.66 HSD11B1 (0.48) MEN1KMT2AELANEF2PLG
SCHEMBL17988143 0.65 EHMT2 (0.46) MEN1KMT2AELANEF2PLG

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 MEN1 3401/4885KMT2A 1376/4885ELANE 3635/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 MEN1 3896/4885KMT2A 1176/4885ELANE 3630/4885

“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.