SCHEMBL6728069

SCHEMBL6728069

Cc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
AMY1A P0DUB6 7/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR1 P21554 1/20 0.42
AGTR1 P30556 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PPP1CA P62136 1/20 0.41
TP53 P04637 2/20 0.40
GRM1 Q13255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL6733231 1.00 MAPT (0.46) MAPTLMNATDP1MEN1KMT2A
SCHEMBL6732615 0.92 GAA (0.42) MAPTLMNATDP1MEN1KMT2A
SCHEMBL6735096 0.86 MEN1 (0.46) MAPTLMNATDP1MEN1KMT2A
SCHEMBL6733308 0.85 AMY1A (0.48) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6736015 0.85 AMY1A (0.48) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6730982 0.84 APP (0.46) MAPTLMNATDP1MEN1KMT2A
SCHEMBL6731189 0.84 KMT2A (0.47) MAPTLMNATDP1MEN1KMT2A
SCHEMBL6730792 0.82 APP (0.52) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6733817 0.80 KMT2A (0.55) MAPTLMNATDP1MEN1KMT2A
SCHEMBL6731500 0.78 AMY1A (0.55) MAPTLMNATDP1MEN1KMT2A

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 7 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
US-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof L'OREAL SA 2002-03-14 US disclosed
US-6322775-B1 FOR COLORING THE SKIN AND/OR THE HAIR; SIDE EFFECTS REDUCTION; STABILITY L'OREAL S.A. (FR) 2001-11-27 US disclosed
EP-0888306-B1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF OREAL (FR) 2001-07-25 EP 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 (3 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 MAPT 591/4885LMNA 1113/4885TDP1 1200/4885
US-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof PPARD, PLIN5, PDK4 MAPT 3025/4885LMNA 3861/4885TDP1 2944/4885
US-20020040508-A1 COMPOSITION FOR DYEING KERATIN FIBRES,COMPRISING A PYRAZOLIN-4,5-DIONE AND AN AROMATIC PRIMARY AMINE KRT18, KLK5, H1-5 MAPT 562/4885LMNA 1035/4885TDP1 1958/4885

“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.