SCHEMBL7609873

SCHEMBL7609873

CN(C)C1NN(c2ccccc2)C(=O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.36
ALOX5 P09917 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 7/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
G6PD P11413 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 3/20 0.33
GFER P55789 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL7616770 0.82 ALDH1A1 (0.35) ALOX12ALOX5MEN1KMT2AGAA
SCHEMBL6731377 0.77 GAA (0.41) ALOX12ALOX5MEN1KMT2AGAA
SCHEMBL6727822 0.76 ALDH1A1 (0.36) ALOX12ALOX5MEN1KMT2AGAA
SCHEMBL6728091 0.72 RORC (0.36) ALOX12ALOX5MEN1KMT2AGAA
SCHEMBL6732147 0.72 KMT2A (0.35) ALOX12MEN1KMT2AGAAALDH1A1
SCHEMBL6731888 0.71 PTPN1 (0.38) ALOX12MEN1KMT2AGAAALDH1A1
SCHEMBL6739601 0.70 MEN1 (0.39) ALOX12MEN1KMT2AGAAALDH1A1
SCHEMBL6727518 0.69 KDM4E (0.40) ALOX12ALOX5MEN1KMT2AGAA
SCHEMBL6733211 0.69 LMNA (0.38) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL7604863 0.67

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-6322775-B1 FOR COLORING THE SKIN AND/OR THE HAIR; SIDE EFFECTS REDUCTION; STABILITY L'OREAL S.A. (FR) 2001-11-27 US claimed
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 claimed
EP-0888306-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1999-01-07 EP claimed
WO-1997035842-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1997-10-02 WO claimed
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
EP-0888306-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1999-01-07 EP disclosed
WO-1997035842-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1997-10-02 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 (1 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-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof PPARD, PLIN5, PDK4 ALOX12 2984/4885ALOX5 941/4885MEN1 3928/4885

“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.