SCHEMBL7609898

SCHEMBL7609898

CC(C)N1N=C(n2cccn2)C(=O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
G6PD P11413 1/20 0.33
CHRM1 P11229 1/20 0.32
NOTUM Q6P988 1/20 0.32
ADORA2A P29274 1/20 0.31
EGLN1 Q9GZT9 2/20 0.30
HRH3 Q9Y5N1 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL7610772 0.78 KDM4E (0.35) POLBMAPTKDM4EALDH1A1MAPK1
SCHEMBL7606156 0.74 MAPT (0.33) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL7610123 0.74 KDM4E (0.36) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL6738535 0.71 MAPT (0.47) POLBMAPTKDM4EALDH1A1MAPK1
SCHEMBL6930289 0.68 KDM4E (0.33) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL20756510 0.64 ALDH1A1 (0.45) POLBMAPTKDM4EALDH1A1MAPK1
SCHEMBL15723646 0.64 KDM4E (0.32) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL6732775 0.63 GAA (0.43) GAA
SCHEMBL15724374 0.60 LMNA (0.40) POLBKDM4EALDH1A1MAPK1MEN1
SCHEMBL24007329 0.59 HCRTR1 (0.38) POLBKDM4EALDH1A1MAPK1

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 5 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 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 POLB 1971/4885MAPT 3025/4885KDM4E 626/4885

“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.