SCHEMBL6738256

SCHEMBL6738256

COC1=NN(Cc2ccccc2)C(=O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
MAPT P10636 1/20 0.41
ALPG P10696 1/20 0.41
NPBWR1 P48145 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL6733169 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EGAATHRBL3MBTL1
SCHEMBL6734601 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EGAAPDE4APDE4B
SCHEMBL6738185 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EGAATHRBTDP1
SCHEMBL6736071 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EGAATHRBL3MBTL1
SCHEMBL6731466 0.74 PDE4A (0.55) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL6735929 0.73 ALDH1A1 (0.49) ALDH1A1KDM4EGAATHRBL3MBTL1
SCHEMBL6730856 0.73
SCHEMBL6728244 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EGAATHRBL3MBTL1
SCHEMBL6732143 0.71 KMT2A (0.47) ALDH1A1KDM4EGAAPDE4APDE4B
SCHEMBL6733056 0.71 RGS4 (0.49) ALDH1A1KDM4EGAATHRBL3MBTL1

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 ALDH1A1 185/4885KDM4E 376/4885GAA 4731/4885
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 292/4885GAA 4764/4885

“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.