SCHEMBL6736006

SCHEMBL6736006

O=C1NN=C(c2ccccc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
LMNA P02545 3/20 0.54
KDR P35968 1/20 0.45
AXL P30530 1/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
CYP1A2 P05177 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37

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
SCHEMBL24457588 0.77 ALDH1A1 (0.49) ALDH1A1LMNAKDRAXLMAPT
SCHEMBL14003218 0.74 ALDH1A1 (0.43) ALDH1A1LMNAKDRAXLMAPT
SCHEMBL29203721 0.74 LMNA (0.62) ALDH1A1LMNAKDRMAPTGAA
SCHEMBL23192514 0.70 ALDH1A1 (0.57) ALDH1A1LMNAKDRAXLMAPT
SCHEMBL17481601 0.70 ALDH1A1 (0.57) ALDH1A1LMNAKDRAXLMAPT
SCHEMBL24246717 0.70 GABRA1 (0.55) ALDH1A1LMNAMAPTGAAGABRA1
SCHEMBL5459942 0.65 ALDH1A1 (0.48) ALDH1A1LMNAMAPTGAATSHR
SCHEMBL4633787 0.64 MAPT (0.44) ALDH1A1LMNAMAPTGAASMN1; SMN2
SCHEMBL1047773 0.63
SCHEMBL21679634 0.61 RAB9A (0.46) ALDH1A1AXLMAPTGAASMN1; SMN2

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 8 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
EP-0422438-A2 Dihydroxydiphenylcycloalkane polycarbonates containing additives BAYER AG (DE) 1991-04-17 EP disclosed
US-5001220-A Pyrazolone substituted copolyarylene sulfide BAYER AG (DE) 1991-03-19 US 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 185/4885LMNA 1113/4885KDR 4126/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 ALDH1A1 326/4885LMNA 1035/4885KDR 3855/4885

“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.